2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid

C19H23N3O4 — CID 175601204

IUPAC2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid
SMILESCOc1cccc(C(=O)Nc2ccccc2CNCCC(N)C(=O)O)c1
InChIInChI=1S/C19H23N3O4/c1-26-15-7-4-6-13(11-15)18(23)22-17-8-3-2-5-14(17)12-21-10-9-16(20)19(24)25/h2-8,11,16,21H,9-10,12,20H2,1H3,(H,22,23)(H,24,25)
InChIKeyGJQHOIAHTMGNJB-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.84
Rot. Bonds9

About 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid

2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid (PubChem CID 175601204) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid.

Molecular Properties

Compound Name2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid
PubChem CID175601204
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid
SMILESCOc1cccc(C(=O)Nc2ccccc2CNCCC(N)C(=O)O)c1
InChIInChI=1S/C19H23N3O4/c1-26-15-7-4-6-13(11-15)18(23)22-17-8-3-2-5-14(17)12-21-10-9-16(20)19(24)25/h2-8,11,16,21H,9-10,12,20H2,1H3,(H,22,23)(H,24,25)
InChIKeyGJQHOIAHTMGNJB-UHFFFAOYSA-N
XLogP1.84
TPSA113.68 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic 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

(2S)-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 170945961
2-amino-4-[(2,4-dimethoxyphenyl)methylamino]butanoic acid
CID 115241190
N-[2-(ethylaminomethyl)phenyl]-3,5-dimethoxybenzamide
CID 119438730
N-[2-(ethylaminomethyl)phenyl]-3-(2-methylpropoxy)benzamide;hydrochloride
CID 119439604
N-[2-(methanesulfonamido)phenyl]-3-methoxybenzamide
CID 35368167
(2R,3S)-4-(2-ethylanilino)-2,3-bis[(3-methoxybenzoyl)oxy]-4-oxobutanoic acid
CID 126379432
N-[2-(1-chloroethyl)phenyl]-3-methoxybenzamide
CID 114304807
2-[2-[(3-methoxybenzoyl)amino]-5-(2-phenylethenyl)phenyl]acetic acid
CID 70119566
(2S)-2-amino-4-[bis[[2-[(3-chlorobenzoyl)amino]phenyl]methyl]amino]butanoic acid
CID 175601170
2-amino-4-[[3-(difluoromethoxy)benzoyl]amino]butanoic acid
CID 67330500
3-methoxy-N-[2-[1-(methylamino)ethyl]phenyl]benzamide
CID 43507956
2-hydroxy-3-[(3-methoxybenzoyl)amino]benzoic acid
CID 104832964

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid?
The IUPAC name of 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid (CID 175601204) is 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid.
What is the SMILES notation for 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid?
The canonical SMILES for 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid is COc1cccc(C(=O)Nc2ccccc2CNCCC(N)C(=O)O)c1.
What is the InChIKey of 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid?
The InChIKey is GJQHOIAHTMGNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-26-15-7-4-6-13(11-15)18(23)22-17-8-3-2-5-14(17)12-21-10-9-16(20)19(24)25/h2-8,11,16,21H,9-10,12,20H2,1H3,(H,22,23)(H,24,25).
What are the key properties of 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid?
2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid has a molecular weight of 357.41 g/mol, XLogP of 1.84, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[[2-[(3-methoxybenzoyl)amino]phenyl]methylamino]butanoic acid is sourced from PubChem (CID 175601204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).