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

C17H31N5O2 — CID 163303003

IUPAC1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1(C)CC1
InChIInChI=1S/C17H31N5O2/c1-11(2)14(22(19)10-13(18)17(3)7-8-17)16(24)21-9-5-6-12(21)15(23)20-4/h10-12,14H,5-9,18-19H2,1-4H3,(H,20,23)/b13-10-
InChIKeyGDXDKNLWUWAXJG-RAXLEYEMSA-N
MW337.47 g/mol
LogP0.52
Rot. Bonds6

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

1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (PubChem CID 163303003) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
PubChem CID163303003
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide
SMILESCNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1(C)CC1
InChIInChI=1S/C17H31N5O2/c1-11(2)14(22(19)10-13(18)17(3)7-8-17)16(24)21-9-5-6-12(21)15(23)20-4/h10-12,14H,5-9,18-19H2,1-4H3,(H,20,23)/b13-10-
InChIKeyGDXDKNLWUWAXJG-RAXLEYEMSA-N
XLogP0.52
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.52
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-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide (CID 163303003) is 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is CNC(=O)C1CCCN1C(=O)C(C(C)C)N(N)/C=C(\N)C1(C)CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
The InChIKey is GDXDKNLWUWAXJG-RAXLEYEMSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-11(2)14(22(19)10-13(18)17(3)7-8-17)16(24)21-9-5-6-12(21)15(23)20-4/h10-12,14H,5-9,18-19H2,1-4H3,(H,20,23)/b13-10-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 0.52, 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-(1-methylcyclopropyl)ethenyl]amino]-3-methylbutanoyl]-N-methylpyrrolidine-2-carboxamide is sourced from PubChem (CID 163303003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).