2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid

C15H19ClN2O3 — CID 61380602

IUPAC2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-13-5-3-11(4-6-13)7-8-17-15(21)18(10-14(19)20)9-12-1-2-12/h3-6,12H,1-2,7-10H2,(H,17,21)(H,19,20)
InChIKeyBAIAMDAQBQRBKG-UHFFFAOYSA-N
MW310.78 g/mol
LogP2.39
Rot. Bonds7

About 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid

2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid (PubChem CID 61380602) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
PubChem CID61380602
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
SMILESO=C(O)CN(CC1CC1)C(=O)NCCc1ccc(Cl)cc1
InChIInChI=1S/C15H19ClN2O3/c16-13-5-3-11(4-6-13)7-8-17-15(21)18(10-14(19)20)9-12-1-2-12/h3-6,12H,1-2,7-10H2,(H,17,21)(H,19,20)
InChIKeyBAIAMDAQBQRBKG-UHFFFAOYSA-N
XLogP2.39
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-chloro-2-methylphenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655639
2-[(2-chlorophenyl)methylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 43655962
2-[2-(cyclopropanecarbonylamino)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 103994352
2-[(2-bromo-5-chlorophenyl)carbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 81280370
2-[cyclopropylmethyl-[2-(4-methyl-1,2,4-triazol-3-yl)ethylcarbamoyl]amino]acetic acid
CID 63330568
2-(4-chlorophenyl)ethylcarbamic acid
CID 57014413
2-[3-(cyclopropylamino)propylcarbamoyl-(cyclopropylmethyl)amino]acetic acid
CID 61408059
N-[2-(4-chlorophenyl)ethyl]-2-(cyclopropylmethylamino)acetamide
CID 61260038
1-N,4-N-bis[2-(4-chlorophenyl)ethyl]cyclohexane-1,4-dicarboxamide
CID 26644708
2-[[1-(4-chlorophenyl)cyclopropanecarbonyl]-(cyclopropylmethyl)amino]acetic acid
CID 43655356
3-[2-(4-chlorophenyl)ethyl]-1,1-bis(2-methoxyethyl)urea
CID 108891943
2-[cyclopropylmethyl-[[3-(ethylamino)-3-oxopropyl]carbamoyl]amino]acetic acid
CID 113410869

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid (CID 61380602) is 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid is O=C(O)CN(CC1CC1)C(=O)NCCc1ccc(Cl)cc1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
The InChIKey is BAIAMDAQBQRBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O3/c16-13-5-3-11(4-6-13)7-8-17-15(21)18(10-14(19)20)9-12-1-2-12/h3-6,12H,1-2,7-10H2,(H,17,21)(H,19,20).
What are the key properties of 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid?
2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid has a molecular weight of 310.78 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylcarbamoyl-(cyclopropylmethyl)amino]acetic acid is sourced from PubChem (CID 61380602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).