1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

C19H29N5O3 — CID 163302852

IUPAC1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CC(O)CN1C(=O)C(C(C)C)N(N)/C=C(\N)c1ccccc1
InChIInChI=1S/C19H29N5O3/c1-12(2)17(24(21)11-15(20)13-7-5-4-6-8-13)19(27)23-10-14(25)9-16(23)18(26)22-3/h4-8,11-12,14,16-17,25H,9-10,20-21H2,1-3H3,(H,22,26)/b15-11-
InChIKeyBPSYLQLIRPRJSI-PTNGSMBKSA-N
MW375.47 g/mol
LogP-0.15
Rot. Bonds6

About 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide

1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (PubChem CID 163302852) has the molecular formula C19H29N5O3 and a molecular weight of 375.47 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
PubChem CID163302852
Molecular FormulaC19H29N5O3
Molecular Weight375.47 g/mol
Exact Mass375.23
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CC(O)CN1C(=O)C(C(C)C)N(N)/C=C(\N)c1ccccc1
InChIInChI=1S/C19H29N5O3/c1-12(2)17(24(21)11-15(20)13-7-5-4-6-8-13)19(27)23-10-14(25)9-16(23)18(26)22-3/h4-8,11-12,14,16-17,25H,9-10,20-21H2,1-3H3,(H,22,26)/b15-11-
InChIKeyBPSYLQLIRPRJSI-PTNGSMBKSA-N
XLogP-0.15
TPSA124.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[amino-[(Z)-2-amino-2-pyrimidin-5-ylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163303088
(2S,4R)-1-[(2S)-2-[4-(benzamidomethyl)triazol-1-yl]-3,3-dimethylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 146151746
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]propanoyl]-4-hydroxy-N-[1-(4-phenylphenyl)propan-2-yl]pyrrolidine-2-carboxamide;formamide
CID 163300668
1-[(2S)-3,3-dimethyl-2-[4-(1-phenylcyclopropyl)triazol-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466326
(2R)-1-[3,3-dimethyl-2-[4-(1-phenylcyclopropyl)triazol-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466327
1-[(2S)-3,3-dimethyl-2-[4-(3-phenylphenyl)triazol-1-yl]butanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide
CID 175466072
(2R,4S)-4-hydroxy-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]-N-(3-methylbutyl)pyrrolidine-2-carboxamide
CID 101041451
4-hydroxy-1-[2-[4-(3-hydroxy-3-phenylpropyl)triazol-1-yl]-3,3-dimethylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163386648
(2S,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 122163617
(2R,4R)-1-benzoyl-4-hydroxypyrrolidine-2-carboxamide
CID 124508175
4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163303095
(2S,4R)-4-hydroxy-1-[2-(4-methoxybenzotriazol-1-yl)-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302844

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide (CID 163302852) is 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CC(O)CN1C(=O)C(C(C)C)N(N)/C=C(\N)c1ccccc1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
The InChIKey is BPSYLQLIRPRJSI-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H29N5O3/c1-12(2)17(24(21)11-15(20)13-7-5-4-6-8-13)19(27)23-10-14(25)9-16(23)18(26)22-3/h4-8,11-12,14,16-17,25H,9-10,20-21H2,1-3H3,(H,22,26)/b15-11-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of -0.15, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino-[(Z)-2-amino-2-phenylethenyl]amino]-3-methylbutanoyl]-4-hydroxy-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163302852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).