2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid

C17H24N2O4 — CID 122100801

IUPAC2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
SMILESCOc1ccccc1CCNC(=O)CN(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-12(17(21)22)19(14-7-8-14)11-16(20)18-10-9-13-5-3-4-6-15(13)23-2/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyAKZAWJPKBOVLPV-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.29
Rot. Bonds9

About 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid

2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid (PubChem CID 122100801) has the molecular formula C17H24N2O4 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
PubChem CID122100801
Molecular FormulaC17H24N2O4
Molecular Weight320.39 g/mol
Exact Mass320.17
IUPAC Name2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid
SMILESCOc1ccccc1CCNC(=O)CN(C1CC1)C(C)C(=O)O
InChIInChI=1S/C17H24N2O4/c1-12(17(21)22)19(14-7-8-14)11-16(20)18-10-9-13-5-3-4-6-15(13)23-2/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,21,22)
InChIKeyAKZAWJPKBOVLPV-UHFFFAOYSA-N
XLogP1.29
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 18131526
N-[2-(2-methoxyphenyl)ethyl]-4-methylpentanamide
CID 78779677
(2R)-2-amino-N-[2-(2-methoxyphenyl)ethyl]propanamide;hydrochloride
CID 119270019
2-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 134043190
N-[4-[2-(2-methoxyphenyl)ethylamino]-4-oxobutyl]cyclopropanecarboxamide
CID 39930096
(2R)-2-[2-(2-methoxyphenyl)ethylcarbamoylamino]propanoic acid
CID 113363047
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
N-[2-(2-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 8911196
4-amino-N-[2-(2-methoxyphenyl)ethyl]-3-methylbutanamide
CID 113266036
N-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]-3-methylbutanamide
CID 112993457
2-[ethyl(2-hydroxyethyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 37097170
2-[acetyl(3-phenylpropyl)amino]-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 113165813

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid?
The IUPAC name of 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid (CID 122100801) is 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid is COc1ccccc1CCNC(=O)CN(C1CC1)C(C)C(=O)O.
What is the InChIKey of 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid?
The InChIKey is AKZAWJPKBOVLPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O4/c1-12(17(21)22)19(14-7-8-14)11-16(20)18-10-9-13-5-3-4-6-15(13)23-2/h3-6,12,14H,7-11H2,1-2H3,(H,18,20)(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid?
2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid has a molecular weight of 320.39 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[2-(2-methoxyphenyl)ethylamino]-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 122100801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).