1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide

C16H29N5O2 — CID 163302919

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C16H29N5O2/c1-10(2)14(21(18)9-12(17)11-6-7-11)16(23)20-8-4-5-13(20)15(22)19-3/h9-11,13-14H,4-8,17-18H2,1-3H3,(H,19,22)/b12-9-
InChIKeyHZFSXRJCCSLOEA-XFXZXTDPSA-N
MW323.44 g/mol
LogP0.13
Rot. Bonds6

About 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163302919) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163302919
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C16H29N5O2/c1-10(2)14(21(18)9-12(17)11-6-7-11)16(23)20-8-4-5-13(20)15(22)19-3/h9-11,13-14H,4-8,17-18H2,1-3H3,(H,19,22)/b12-9-
InChIKeyHZFSXRJCCSLOEA-XFXZXTDPSA-N
XLogP0.13
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
CID 163303010
1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
CID 167070850
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 167071940
(2S)-N-[(2R)-3-amino-4-fluoro-3-methyl-1-(methylamino)-1-oxobutan-2-yl]-1-[2-(3-cyclopropylprop-1-en-2-ylamino)acetyl]pyrrolidine-2-carboxamide
CID 142833598
(2S)-1-[3-(but-1-en-2-ylamino)prop-1-en-2-yl]-N-[2-(fluoromethyl)-1-(methylcarbamoyl)cyclopropyl]pyrrolidine-2-carboxamide
CID 142833795
(2S)-2-[(2-cyclopropylacetyl)amino]-4-pyrrolidin-1-ylpent-4-enamide;ethane;molecular hydrogen
CID 142558366
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163300517
(Z)-2-[amino(3-methylbut-2-en-2-yl)amino]-1-cyclopropylethenamine;1-formyl-N-methylpyrrolidine-2-carboxamide
CID 163302845
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;methyl formate
CID 163302874
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one
CID 163302875
1-[2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302890
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-propan-2-ylformamide
CID 163302899

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (CID 163302919) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is HZFSXRJCCSLOEA-XFXZXTDPSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-10(2)14(21(18)9-12(17)11-6-7-11)16(23)20-8-4-5-13(20)15(22)19-3/h9-11,13-14H,4-8,17-18H2,1-3H3,(H,19,22)/b12-9-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.13, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163302919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).