3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid

C19H21ClN2O4 — CID 122003516

IUPAC3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
SMILESCOc1cccc(C(NC(=O)N(C)CCC(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-22(11-10-17(23)24)19(25)21-18(15-8-3-4-9-16(15)20)13-6-5-7-14(12-13)26-2/h3-9,12,18H,10-11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyOISDDQLMWUFRCU-UHFFFAOYSA-N
MW376.84 g/mol
LogP3.55
Rot. Bonds7

About 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid

3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid (PubChem CID 122003516) has the molecular formula C19H21ClN2O4 and a molecular weight of 376.84 g/mol. Its IUPAC name is 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
PubChem CID122003516
Molecular FormulaC19H21ClN2O4
Molecular Weight376.84 g/mol
Exact Mass376.12
IUPAC Name3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid
SMILESCOc1cccc(C(NC(=O)N(C)CCC(=O)O)c2ccccc2Cl)c1
InChIInChI=1S/C19H21ClN2O4/c1-22(11-10-17(23)24)19(25)21-18(15-8-3-4-9-16(15)20)13-6-5-7-14(12-13)26-2/h3-9,12,18H,10-11H2,1-2H3,(H,21,25)(H,23,24)
InChIKeyOISDDQLMWUFRCU-UHFFFAOYSA-N
XLogP3.55
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.84
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic 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

4-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoylamino]butanoic acid
CID 122003514
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119801663
N-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]ethanamine
CID 61030140
3-[bis(3-methoxyphenyl)methylcarbamoyl-methylamino]-2-methylpropanoic acid
CID 122005019
N-[4-[[(R)-(2-chlorophenyl)-(3-methoxyphenyl)methyl]amino]cyclohexyl]acetamide
CID 97341188
(2-chlorophenyl)-(3-methoxyphenyl)methanamine;hydrochloride
CID 54595163
1-[(2-chlorophenyl)-(3-methoxyphenyl)methyl]-3-[(2-oxo-1,3,3a,4,5,6-hexahydrocyclopenta[b]pyrrol-6a-yl)methyl]urea
CID 167966334
3-[[(1S)-1-(2,5-dichlorophenyl)ethyl]carbamoyl-methylamino]propanoic acid
CID 122010888
1-(2-hydroxy-2-methylpropyl)-3-[(S)-(2-methoxyphenyl)-phenylmethyl]-1-methylurea
CID 97075992
2-chloro-N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 45001535
3-[3-(3-methoxyphenyl)propanoyl-methylamino]propanoic acid
CID 60989775
(2R)-2-(2-chlorophenyl)-2-[[2-(dimethylamino)ethyl-methylcarbamoyl]amino]acetic acid
CID 107316066

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid (CID 122003516) is 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid is COc1cccc(C(NC(=O)N(C)CCC(=O)O)c2ccccc2Cl)c1.
What is the InChIKey of 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid?
The InChIKey is OISDDQLMWUFRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4/c1-22(11-10-17(23)24)19(25)21-18(15-8-3-4-9-16(15)20)13-6-5-7-14(12-13)26-2/h3-9,12,18H,10-11H2,1-2H3,(H,21,25)(H,23,24).
What are the key properties of 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid?
3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid has a molecular weight of 376.84 g/mol, XLogP of 3.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorophenyl)-(3-methoxyphenyl)methyl]carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 122003516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).