N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide

C17H29N5O4 — CID 165384364

IUPACN-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN([C@@H](CC(C)C)C(=O)NNC[C@@H]2CCNC2=O)C1=O
InChIInChI=1S/C17H29N5O4/c1-10(2)8-14(22-7-5-13(17(22)26)20-11(3)23)16(25)21-19-9-12-4-6-18-15(12)24/h10,12-14,19H,4-9H2,1-3H3,(H,18,24)(H,20,23)(H,21,25)/t12-,13-,14-/m0/s1
InChIKeyNQBJXHIZXUBZJS-IHRRRGAJSA-N
MW367.45 g/mol
LogP-1.11
Rot. Bonds8

About N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide

N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (PubChem CID 165384364) has the molecular formula C17H29N5O4 and a molecular weight of 367.45 g/mol. Its IUPAC name is N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
PubChem CID165384364
Molecular FormulaC17H29N5O4
Molecular Weight367.45 g/mol
Exact Mass367.22
IUPAC NameN-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@H]1CCN([C@@H](CC(C)C)C(=O)NNC[C@@H]2CCNC2=O)C1=O
InChIInChI=1S/C17H29N5O4/c1-10(2)8-14(22-7-5-13(17(22)26)20-11(3)23)16(25)21-19-9-12-4-6-18-15(12)24/h10,12-14,19H,4-9H2,1-3H3,(H,18,24)(H,20,23)(H,21,25)/t12-,13-,14-/m0/s1
InChIKeyNQBJXHIZXUBZJS-IHRRRGAJSA-N
XLogP-1.11
TPSA119.64 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-1.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-methyl-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]pentanoate
CID 611542
1-[(2S)-4-methyl-1-oxo-1-[[(2S)-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]-4-(trifluoromethoxy)butan-2-yl]amino]pentan-2-yl]-2-oxopiperidine-3-carboxamide
CID 167333890
3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958706
(3R)-3-[(propan-2-ylamino)methyl]pyrrolidin-2-one
CID 170365434
methyl (2S)-2-[[(2S)-2,4-dimethylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 158532363
(2S)-4-methyl-2-[(3R)-3-(methylamino)-2-oxopyrrolidin-1-yl]-N-[(2S)-1-methyliminobutan-2-yl]pentanamide
CID 59124552
(2S)-2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 69153165
methyl (2S)-2-[[(2S)-2-amino-4-methylpentanoyl]amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 90368691
(2S)-2-[(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-oxopyrrolidin-1-yl]-4-methylpentanoic acid
CID 45024429
2-chloro-N-(2-oxopyrrolidin-3-yl)propanamide
CID 164647044
(2R)-2-amino-4-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)pentanamide
CID 106255828
(1R,2S,5S)-3-[(2S,3S)-2-amino-3-methylpentanoyl]-6,6-dimethyl-N'-[[(3S)-2-oxopyrrolidin-3-yl]methyl]-3-azabicyclo[3.1.0]hexane-2-carbohydrazide
CID 168917392

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide (CID 165384364) is N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is CC(=O)N[C@H]1CCN([C@@H](CC(C)C)C(=O)NNC[C@@H]2CCNC2=O)C1=O.
What is the InChIKey of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
The InChIKey is NQBJXHIZXUBZJS-IHRRRGAJSA-N. The full InChI is InChI=1S/C17H29N5O4/c1-10(2)8-14(22-7-5-13(17(22)26)20-11(3)23)16(25)21-19-9-12-4-6-18-15(12)24/h10,12-14,19H,4-9H2,1-3H3,(H,18,24)(H,20,23)(H,21,25)/t12-,13-,14-/m0/s1.
What are the key properties of N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide?
N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide has a molecular weight of 367.45 g/mol, XLogP of -1.11, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S)-1-[(2S)-4-methyl-1-oxo-1-[2-[[(3S)-2-oxopyrrolidin-3-yl]methyl]hydrazinyl]pentan-2-yl]-2-oxopyrrolidin-3-yl]acetamide is sourced from PubChem (CID 165384364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).