2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid

C14H17ClN2O3 — CID 43655962

IUPAC2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-12-4-2-1-3-11(12)7-16-14(20)17(9-13(18)19)8-10-5-6-10/h1-4,10H,5-9H2,(H,16,20)(H,18,19)
InChIKeyVREBKWPRBHTZOD-UHFFFAOYSA-N
MW296.75 g/mol
LogP2.35
Rot. Bonds6

About 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid

2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 43655962) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID43655962
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCc1ccccc1Cl
InChIInChI=1S/C14H17ClN2O3/c15-12-4-2-1-3-11(12)7-16-14(20)17(9-13(18)19)8-10-5-6-10/h1-4,10H,5-9H2,(H,16,20)(H,18,19)
InChIKeyVREBKWPRBHTZOD-UHFFFAOYSA-N
XLogP2.35
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl-(2,3-dichlorobenzoyl)amino]acetic acid
CID 43655107
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61380602
3-[(2-chlorophenyl)methyl]-1,1-diphenylurea
CID 134110940
3-[(2-chlorophenyl)methyl]-1,1-bis(prop-2-enyl)urea
CID 108897654
N-[(2-chlorophenyl)methyl]cyclopropanecarboxamide
CID 899098
2-[(2-bromophenyl)methylcarbamoyl-(carboxymethyl)amino]acetic acid
CID 63644952
3-[(2-chlorophenyl)methyl]-1-cyclohexyl-1-methylurea
CID 108897626
2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
2-[(2-chloro-4,6-difluorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 83074600
N-[(2-chlorophenyl)methyl]cyclobutanecarboxamide
CID 17173308

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid (CID 43655962) is 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is VREBKWPRBHTZOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c15-12-4-2-1-3-11(12)7-16-14(20)17(9-13(18)19)8-10-5-6-10/h1-4,10H,5-9H2,(H,16,20)(H,18,19).
What are the key properties of 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 296.75 g/mol, XLogP of 2.35, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 43655962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).