2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid

C15H20N2O4 — CID 61182104

IUPAC2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
SMILESCOc1ccc(CCNC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-2-11(3-7-13)8-9-16-15(20)17(10-14(18)19)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyDKLWZIDFGVVHAJ-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.50
Rot. Bonds7

About 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid (PubChem CID 61182104) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
PubChem CID61182104
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
SMILESCOc1ccc(CCNC(=O)N(CC(=O)O)C2CC2)cc1
InChIInChI=1S/C15H20N2O4/c1-21-13-6-2-11(3-7-13)8-9-16-15(20)17(10-14(18)19)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,20)(H,18,19)
InChIKeyDKLWZIDFGVVHAJ-UHFFFAOYSA-N
XLogP1.50
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 103996280
2-[cyclopropyl-[4-(4-methoxyphenyl)butanoyl]amino]acetic acid
CID 119194676
N-[2-(4-methoxyphenyl)ethyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167780706
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 108901955
4-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672169
2-[cyclopropyl-[(6-methoxy-3-pyridinyl)methylcarbamoyl]amino]acetic acid
CID 62994376
2-[cyclopropyl-[2-(4-methyl-1,3-thiazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 63240581
4-[2-[4-(4-methoxyphenoxy)phenyl]ethylamino]-4-oxobutanoic acid
CID 20991677
1-ethyl-3-[2-(4-methoxyphenyl)ethyl]-1-phenylurea
CID 108901911
2-[cyclopropyl-[(2,4-dimethoxyphenyl)carbamoyl]amino]acetic acid
CID 61181181
(1S,6R)-6-[2-(4-methoxyphenyl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 737691
2-[cyclopropyl-[2-(dimethylcarbamoylamino)ethylcarbamoyl]amino]acetic acid
CID 83113212

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid (CID 61182104) is 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid is COc1ccc(CCNC(=O)N(CC(=O)O)C2CC2)cc1.
What is the InChIKey of 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is DKLWZIDFGVVHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-6-2-11(3-7-13)8-9-16-15(20)17(10-14(18)19)12-4-5-12/h2-3,6-7,12H,4-5,8-10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid has a molecular weight of 292.33 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 61182104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).