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

C18H33N5O2 — CID 163302944

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1CCCC1
InChIInChI=1S/C18H33N5O2/c1-12(2)16(23(20)11-14(19)13-7-4-5-8-13)18(25)22-10-6-9-15(22)17(24)21-3/h11-13,15-16H,4-10,19-20H2,1-3H3,(H,21,24)/b14-11-
InChIKeyMOXLDGRZRUXMCB-KAMYIIQDSA-N
MW351.50 g/mol
LogP0.91
Rot. Bonds6

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

1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163302944) has the molecular formula C18H33N5O2 and a molecular weight of 351.50 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163302944
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1CCCC1
InChIInChI=1S/C18H33N5O2/c1-12(2)16(23(20)11-14(19)13-7-4-5-8-13)18(25)22-10-6-9-15(22)17(24)21-3/h11-13,15-16H,4-10,19-20H2,1-3H3,(H,21,24)/b14-11-
InChIKeyMOXLDGRZRUXMCB-KAMYIIQDSA-N
XLogP0.91
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.50
LogP ≤ 50.91
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'}

Analyze 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
CID 163303010
(8Z)-8,10-diamino-17-cyclohexyl-1,10,15,18-tetrazabicyclo[18.3.0]tricos-8-ene-2,16,19-trione
CID 139565559
(9Z)-8,10-diamino-16-cyclohexyl-1,8,14,17-tetrazabicyclo[17.3.0]docos-9-ene-2,15,18-trione
CID 139565560
1-[(Z)-6-amino-7-[amino(4-formamidobutyl)amino]hept-6-enoyl]-N-(1-cyclohexylethyl)pyrrolidine-2-carboxamide
CID 139565568
1-[2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302890
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163302919
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide
CID 163302930
2-[amino-[(Z)-2-amino-2-cyclobutylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
CID 163302995
1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
CID 163303003
2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;N-methylformamide
CID 163303007
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
CID 163303029
1-[2-(1-acetylpiperidin-4-yl)-2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]acetyl]-N-methylpyrrolidine-2-carboxamide
CID 163303032

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (CID 163302944) is 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1CCCC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is MOXLDGRZRUXMCB-KAMYIIQDSA-N. The full InChI is InChI=1S/C18H33N5O2/c1-12(2)16(23(20)11-14(19)13-7-4-5-8-13)18(25)22-10-6-9-15(22)17(24)21-3/h11-13,15-16H,4-10,19-20H2,1-3H3,(H,21,24)/b14-11-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 351.50 g/mol, XLogP of 0.91, 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-cyclopentylethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163302944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).