1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide

C18H33N5O2 — CID 163302930

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)C(N(N)/C=C(\N)C1CC1)C(C)(C)C
InChIInChI=1S/C18H33N5O2/c1-5-21-16(24)14-7-6-10-22(14)17(25)15(18(2,3)4)23(20)11-13(19)12-8-9-12/h11-12,14-15H,5-10,19-20H2,1-4H3,(H,21,24)/b13-11-
InChIKeyXUKASLZXFWQGTL-QBFSEMIESA-N
MW351.50 g/mol
LogP0.91
Rot. Bonds6

About 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide (PubChem CID 163302930) 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-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide
PubChem CID163302930
Molecular FormulaC18H33N5O2
Molecular Weight351.50 g/mol
Exact Mass351.26
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide
SMILESCCNC(=O)C1CCCN1C(=O)C(N(N)/C=C(\N)C1CC1)C(C)(C)C
InChIInChI=1S/C18H33N5O2/c1-5-21-16(24)14-7-6-10-22(14)17(25)15(18(2,3)4)23(20)11-13(19)12-8-9-12/h11-12,14-15H,5-10,19-20H2,1-4H3,(H,21,24)/b13-11-
InChIKeyXUKASLZXFWQGTL-QBFSEMIESA-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'}

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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-[(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
1-(2-amino-3,3-dimethylbutanoyl)-N-(2-ethenylcyclopropyl)pyrrolidine-2-carboxamide
CID 68249391
1-(2-amino-3,3-dimethylbutanoyl)-N-[(1S)-1-carbamoyl-2-ethenylcyclopropyl]pyrrolidine-2-carboxamide
CID 68374847
N-[2-[2-[(3,3-dimethyl-2-methylidenebutyl)amino]hex-1-en-3-ylamino]-2-oxoethyl]-1-methylpyrrolidine-2-carboxamide
CID 126560424
(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
2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethyl-1-(2-methylpyrrolidin-1-yl)butan-1-one;formic acid
CID 163300619
(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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide (CID 163302930) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide is CCNC(=O)C1CCCN1C(=O)C(N(N)/C=C(\N)C1CC1)C(C)(C)C.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide?
The InChIKey is XUKASLZXFWQGTL-QBFSEMIESA-N. The full InChI is InChI=1S/C18H33N5O2/c1-5-21-16(24)14-7-6-10-22(14)17(25)15(18(2,3)4)23(20)11-13(19)12-8-9-12/h11-12,14-15H,5-10,19-20H2,1-4H3,(H,21,24)/b13-11-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-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-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-ethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163302930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).