(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide

C21H28FN5O — CID 24882666

IUPAC(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide
SMILESNC(N)=NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
InChIKeyFWXWLUZMESYEFC-RTBURBONSA-N
MW385.49 g/mol
LogP1.48
Rot. Bonds10

About (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide

(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide (PubChem CID 24882666) has the molecular formula C21H28FN5O and a molecular weight of 385.49 g/mol. Its IUPAC name is (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide
PubChem CID24882666
Molecular FormulaC21H28FN5O
Molecular Weight385.49 g/mol
Exact Mass385.23
IUPAC Name(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide
SMILESNC(N)=NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1
InChIInChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1
InChIKeyFWXWLUZMESYEFC-RTBURBONSA-N
XLogP1.48
TPSA119.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.49
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide 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 (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide?
The IUPAC name of (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide (CID 24882666) is (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide.
What is the SMILES notation for (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide?
The canonical SMILES for (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide is NC(N)=NCCC[C@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccc(F)cc1.
What is the InChIKey of (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide?
The InChIKey is FWXWLUZMESYEFC-RTBURBONSA-N. The full InChI is InChI=1S/C21H28FN5O/c22-17-10-8-16(9-11-17)14-19(23)20(28)27-18(7-4-12-26-21(24)25)13-15-5-2-1-3-6-15/h1-3,5-6,8-11,18-19H,4,7,12-14,23H2,(H,27,28)(H4,24,25,26)/t18-,19-/m1/s1.
What are the key properties of (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide?
(2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide has a molecular weight of 385.49 g/mol, XLogP of 1.48, 10 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[(2R)-5-(diaminomethylideneamino)-1-phenylpentan-2-yl]-3-(4-fluorophenyl)propanamide is sourced from PubChem (CID 24882666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).