1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

C14H25FN6O3 — CID 167070850

IUPAC1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(C(=O)N1CCCC1C(=O)NCC(N)=O)N(N)/C=C(\N)F
InChIInChI=1S/C14H25FN6O3/c1-8(2)12(21(18)7-10(15)16)14(24)20-5-3-4-9(20)13(23)19-6-11(17)22/h7-9,12H,3-6,16,18H2,1-2H3,(H2,17,22)(H,19,23)/b10-7-
InChIKeySTRIWTSVZCIFIE-YFHOEESVSA-N
MW344.39 g/mol
LogP-1.49
Rot. Bonds7

About 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide

1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide (PubChem CID 167070850) has the molecular formula C14H25FN6O3 and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
PubChem CID167070850
Molecular FormulaC14H25FN6O3
Molecular Weight344.39 g/mol
Exact Mass344.20
IUPAC Name1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
SMILESCC(C)C(C(=O)N1CCCC1C(=O)NCC(N)=O)N(N)/C=C(\N)F
InChIInChI=1S/C14H25FN6O3/c1-8(2)12(21(18)7-10(15)16)14(24)20-5-3-4-9(20)13(23)19-6-11(17)22/h7-9,12H,3-6,16,18H2,1-2H3,(H2,17,22)(H,19,23)/b10-7-
InChIKeySTRIWTSVZCIFIE-YFHOEESVSA-N
XLogP-1.49
TPSA147.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 5-1.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide (CID 167070850) is 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide is CC(C)C(C(=O)N1CCCC1C(=O)NCC(N)=O)N(N)/C=C(\N)F.
What is the InChIKey of 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
The InChIKey is STRIWTSVZCIFIE-YFHOEESVSA-N. The full InChI is InChI=1S/C14H25FN6O3/c1-8(2)12(21(18)7-10(15)16)14(24)20-5-3-4-9(20)13(23)19-6-11(17)22/h7-9,12H,3-6,16,18H2,1-2H3,(H2,17,22)(H,19,23)/b10-7-.
What are the key properties of 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide?
1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide has a molecular weight of 344.39 g/mol, XLogP of -1.49, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[amino-[(E)-2-amino-2-fluoroethenyl]amino]-3-methylbutanoyl]-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167070850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).