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

C16H29N5O2 — CID 163303029

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(C(=O)N1CCCC1C(N)=O)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C16H29N5O2/c1-16(2,3)13(21(19)9-11(17)10-6-7-10)15(23)20-8-4-5-12(20)14(18)22/h9-10,12-13H,4-8,17,19H2,1-3H3,(H2,18,22)/b11-9-
InChIKeyYYNRIEUXMAYRFM-LUAWRHEFSA-N
MW323.44 g/mol
LogP0.26
Rot. Bonds5

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

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (PubChem CID 163303029) 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]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
PubChem CID163303029
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(C(=O)N1CCCC1C(N)=O)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C16H29N5O2/c1-16(2,3)13(21(19)9-11(17)10-6-7-10)15(23)20-8-4-5-12(20)14(18)22/h9-10,12-13H,4-8,17,19H2,1-3H3,(H2,18,22)/b11-9-
InChIKeyYYNRIEUXMAYRFM-LUAWRHEFSA-N
XLogP0.26
TPSA118.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide (CID 163303029) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide is CC(C)(C)C(C(=O)N1CCCC1C(N)=O)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
The InChIKey is YYNRIEUXMAYRFM-LUAWRHEFSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-16(2,3)13(21(19)9-11(17)10-6-7-10)15(23)20-8-4-5-12(20)14(18)22/h9-10,12-13H,4-8,17,19H2,1-3H3,(H2,18,22)/b11-9-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]pyrrolidine-2-carboxamide has a molecular weight of 323.44 g/mol, XLogP of 0.26, 5 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]pyrrolidine-2-carboxamide is sourced from PubChem (CID 163303029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).