N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide

C17H26N6O6 — CID 44549911

IUPACN-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)NC1CC1
InChIInChI=1S/C17H26N6O6/c1-11(19-17(28)22-6-8-29-9-7-22)16(27)21-23(10-13(18)24)15(26)5-4-14(25)20-12-2-3-12/h4-5,11-12H,2-3,6-10H2,1H3,(H2,18,24)(H,19,28)(H,20,25)(H,21,27)/b5-4+/t11-/m0/s1
InChIKeyFOZOIIZFXQOIQD-ZWNMCFTASA-N
MW410.43 g/mol
LogP-2.40
Rot. Bonds7

About N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide

N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide (PubChem CID 44549911) has the molecular formula C17H26N6O6 and a molecular weight of 410.43 g/mol. Its IUPAC name is N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide
PubChem CID44549911
Molecular FormulaC17H26N6O6
Molecular Weight410.43 g/mol
Exact Mass410.19
IUPAC NameN-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide
SMILESC[C@H](NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)NC1CC1
InChIInChI=1S/C17H26N6O6/c1-11(19-17(28)22-6-8-29-9-7-22)16(27)21-23(10-13(18)24)15(26)5-4-14(25)20-12-2-3-12/h4-5,11-12H,2-3,6-10H2,1H3,(H2,18,24)(H,19,28)(H,20,25)(H,21,27)/b5-4+/t11-/m0/s1
InChIKeyFOZOIIZFXQOIQD-ZWNMCFTASA-N
XLogP-2.40
TPSA163.17 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.43
LogP ≤ 5-2.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide with MolForge

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Related Compounds

ethyl (E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-[[(2R)-2-(morpholine-4-carbonylamino)propanoyl]amino]propanoyl]amino]amino]-4-oxobut-2-enoate
CID 45483357
ethyl (E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-[[(2R)-2-(piperazine-1-carbonylamino)propanoyl]amino]propanoyl]amino]amino]-4-oxobut-2-enoate
CID 45483379
2-[(2R*,6S*)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-3,6-dihydropyridazin-1(2H)-yl)ethyl]propanamide
CID 56876224
ethyl (E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-[[(2S)-2-(piperazine-1-carbonylamino)propanoyl]amino]propanoyl]amino]amino]-4-oxobut-2-enoate
CID 44549137
ethyl (E)-4-[(2-amino-2-oxoethyl)-[[(2S)-2-[[(2S)-2-(morpholine-4-carbonylamino)propanoyl]amino]propanoyl]amino]amino]-4-oxobut-2-enoate
CID 44550146
2-[2-(1-morpholin-4-ylpropan-2-ylamino)ethyl]-1H-pyridazine-3,6-dione
CID 56721913
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(1-morpholin-4-ylpropan-2-yl)acetamide
CID 71941541
(2S)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
CID 95555879
(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(3,6-dioxo-1H-pyridazin-2-yl)ethyl]propanamide
CID 95555880
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2S)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 96154790
2-(3,6-dioxo-1H-pyridazin-2-yl)-N-[(2R)-1-morpholin-4-ylpropan-2-yl]acetamide
CID 96154791

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The IUPAC name of N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide (CID 44549911) is N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide is C[C@H](NC(=O)N1CCOCC1)C(=O)NN(CC(N)=O)C(=O)/C=C/C(=O)NC1CC1.
What is the InChIKey of N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide?
The InChIKey is FOZOIIZFXQOIQD-ZWNMCFTASA-N. The full InChI is InChI=1S/C17H26N6O6/c1-11(19-17(28)22-6-8-29-9-7-22)16(27)21-23(10-13(18)24)15(26)5-4-14(25)20-12-2-3-12/h4-5,11-12H,2-3,6-10H2,1H3,(H2,18,24)(H,19,28)(H,20,25)(H,21,27)/b5-4+/t11-/m0/s1.
What are the key properties of N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide?
N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide has a molecular weight of 410.43 g/mol, XLogP of -2.40, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[2-(2-amino-2-oxoethyl)-2-[(E)-4-(cyclopropylamino)-4-oxobut-2-enoyl]hydrazinyl]-1-oxopropan-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 44549911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).