2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid

C15H20N2O4 — CID 103996280

IUPAC2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
SMILESCOc1cccc(CCNC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-11(9-13)7-8-16-15(20)17(10-14(18)19)12-5-6-12/h2-4,9,12H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyLMIFGOWVOGHRBT-UHFFFAOYSA-N
MW292.33 g/mol
LogP1.50
Rot. Bonds7

About 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid

2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid (PubChem CID 103996280) has the molecular formula C15H20N2O4 and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
PubChem CID103996280
Molecular FormulaC15H20N2O4
Molecular Weight292.33 g/mol
Exact Mass292.14
IUPAC Name2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
SMILESCOc1cccc(CCNC(=O)N(CC(=O)O)C2CC2)c1
InChIInChI=1S/C15H20N2O4/c1-21-13-4-2-3-11(9-13)7-8-16-15(20)17(10-14(18)19)12-5-6-12/h2-4,9,12H,5-8,10H2,1H3,(H,16,20)(H,18,19)
InChIKeyLMIFGOWVOGHRBT-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-(4-methoxyphenyl)ethylcarbamoyl]amino]acetic acid
CID 61182104
2-[acetyl(cyclopropyl)amino]-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 113158342
2-[cyclopropyl-[3-(3-methoxyphenyl)propanoyl]amino]acetic acid
CID 60826259
3-[ethyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]propanoic acid
CID 107843104
(2R,5S)-5-[2-(3-methoxyphenyl)ethylcarbamoyl]oxolane-2-carboxylic acid
CID 107846631
1-ethyl-3-[2-(3-methoxyphenyl)ethyl]-1-phenylurea
CID 108900948
N-[2-(3-methoxyphenyl)ethyl]cyclohexanecarboxamide
CID 47041879
N-[2-(3-methoxyphenyl)ethyl]-2-oxopropanamide
CID 110478240
2-[(3-methoxyphenyl)methylcarbamoyl-methylamino]acetic acid
CID 54910960
4-[2-(3-methoxyphenyl)ethylamino]-4-oxobutanoic acid;hydrochloride
CID 170649983
phenyl N-[2-(3-methoxyphenyl)ethyl]carbamate
CID 110755565
2-hydroxy-N-[2-(3-methoxyphenyl)ethyl]acetamide
CID 94681482

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid (CID 103996280) is 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid is COc1cccc(CCNC(=O)N(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
The InChIKey is LMIFGOWVOGHRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-21-13-4-2-3-11(9-13)7-8-16-15(20)17(10-14(18)19)12-5-6-12/h2-4,9,12H,5-8,10H2,1H3,(H,16,20)(H,18,19).
What are the key properties of 2-[cyclopropyl-[2-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid?
2-[cyclopropyl-[2-(3-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-(3-methoxyphenyl)ethylcarbamoyl]amino]acetic acid is sourced from PubChem (CID 103996280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).