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

C18H32FN5O2 — CID 163303010

IUPAC1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(C(=O)N1CCCC1C(=O)NCCF)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C18H32FN5O2/c1-18(2,3)15(24(21)11-13(20)12-6-7-12)17(26)23-10-4-5-14(23)16(25)22-9-8-19/h11-12,14-15H,4-10,20-21H2,1-3H3,(H,22,25)/b13-11-
InChIKeyLAHWACVWBUSOEE-QBFSEMIESA-N
MW369.49 g/mol
LogP0.86
Rot. Bonds7

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

1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 163303010) has the molecular formula C18H32FN5O2 and a molecular weight of 369.49 g/mol. Its IUPAC name is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
PubChem CID163303010
Molecular FormulaC18H32FN5O2
Molecular Weight369.49 g/mol
Exact Mass369.25
IUPAC Name1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide
SMILESCC(C)(C)C(C(=O)N1CCCC1C(=O)NCCF)N(N)/C=C(\N)C1CC1
InChIInChI=1S/C18H32FN5O2/c1-18(2,3)15(24(21)11-13(20)12-6-7-12)17(26)23-10-4-5-14(23)16(25)22-9-8-19/h11-12,14-15H,4-10,20-21H2,1-3H3,(H,22,25)/b13-11-
InChIKeyLAHWACVWBUSOEE-QBFSEMIESA-N
XLogP0.86
TPSA104.69 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 50.86
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]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide (CID 163303010) is 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide is CC(C)(C)C(C(=O)N1CCCC1C(=O)NCCF)N(N)/C=C(\N)C1CC1.
What is the InChIKey of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is LAHWACVWBUSOEE-QBFSEMIESA-N. The full InChI is InChI=1S/C18H32FN5O2/c1-18(2,3)15(24(21)11-13(20)12-6-7-12)17(26)23-10-4-5-14(23)16(25)22-9-8-19/h11-12,14-15H,4-10,20-21H2,1-3H3,(H,22,25)/b13-11-.
What are the key properties of 1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide?
1-[2-[amino-[(Z)-2-amino-2-cyclopropylethenyl]amino]-3,3-dimethylbutanoyl]-N-(2-fluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 369.49 g/mol, XLogP of 0.86, 7 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-(2-fluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 163303010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).