6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid

C15H22FN3O3 — CID 69169193

IUPAC6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid
SMILESNCCCCC(NC(=O)CNCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H22FN3O3/c16-12-5-3-4-11(8-12)9-18-10-14(20)19-13(15(21)22)6-1-2-7-17/h3-5,8,13,18H,1-2,6-7,9-10,17H2,(H,19,20)(H,21,22)
InChIKeyIPZCEPDCVLWQMC-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.61
Rot. Bonds10

About 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid

6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid (PubChem CID 69169193) has the molecular formula C15H22FN3O3 and a molecular weight of 311.36 g/mol. Its IUPAC name is 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid.

Molecular Properties

Compound Name6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid
PubChem CID69169193
Molecular FormulaC15H22FN3O3
Molecular Weight311.36 g/mol
Exact Mass311.16
IUPAC Name6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid
SMILESNCCCCC(NC(=O)CNCc1cccc(F)c1)C(=O)O
InChIInChI=1S/C15H22FN3O3/c16-12-5-3-4-11(8-12)9-18-10-14(20)19-13(15(21)22)6-1-2-7-17/h3-5,8,13,18H,1-2,6-7,9-10,17H2,(H,19,20)(H,21,22)
InChIKeyIPZCEPDCVLWQMC-UHFFFAOYSA-N
XLogP0.61
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 50.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-aminoacetyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171157
(2S)-6-amino-2-[[2-[(2-phenylacetyl)amino]acetyl]amino]hexanoic acid
CID 7015183
6-amino-2-[[2-(4-fluoroanilino)acetyl]amino]hexanoic acid
CID 69109669
(2S)-6-amino-2-[[4-[(3-fluorophenyl)methoxy]phenyl]carbamoylamino]hexanoic acid
CID 149432585
2-[(2-aminoacetyl)amino]-3-(3-fluorophenyl)propanoic acid
CID 140933508
(2S)-6-amino-2-[[(2S)-2-[[2-(benzylamino)acetyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoic acid
CID 175892165
6-amino-2-[(2-naphthalen-1-ylacetyl)amino]hexanoic acid
CID 154945512
(2S)-6-amino-2-[(2-benzamidoacetyl)amino]hexanoic acid
CID 7010495
(2R)-4-amino-2-[(3-fluorophenyl)methylcarbamoylamino]-4-oxobutanoic acid
CID 107826029
2-[(2-amino-2-methylpropanoyl)amino]-5-(3-fluorophenyl)pentanoic acid
CID 155171209
4-amino-N-[(3-fluorophenyl)methyl]butanamide;hydrochloride
CID 119279529
(2S)-6-amino-2-[[2-(3-chloroanilino)acetyl]amino]hexanoic acid
CID 69230374

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid?
The IUPAC name of 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid (CID 69169193) is 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid.
What is the SMILES notation for 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid?
The canonical SMILES for 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid is NCCCCC(NC(=O)CNCc1cccc(F)c1)C(=O)O.
What is the InChIKey of 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid?
The InChIKey is IPZCEPDCVLWQMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FN3O3/c16-12-5-3-4-11(8-12)9-18-10-14(20)19-13(15(21)22)6-1-2-7-17/h3-5,8,13,18H,1-2,6-7,9-10,17H2,(H,19,20)(H,21,22).
What are the key properties of 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid?
6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid has a molecular weight of 311.36 g/mol, XLogP of 0.61, 10 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-[[2-[(3-fluorophenyl)methylamino]acetyl]amino]hexanoic acid is sourced from PubChem (CID 69169193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).