2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid

C16H21NO4 — CID 43360411

IUPAC2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
SMILESCOc1ccccc1CCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO4/c1-16(15(19)20,12-8-9-12)17-14(18)10-7-11-5-3-4-6-13(11)21-2/h3-6,12H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQPQCEZDBBBGOKK-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.00
Rot. Bonds7

About 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid

2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid (PubChem CID 43360411) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
PubChem CID43360411
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid
SMILESCOc1ccccc1CCC(=O)NC(C)(C(=O)O)C1CC1
InChIInChI=1S/C16H21NO4/c1-16(15(19)20,12-8-9-12)17-14(18)10-7-11-5-3-4-6-13(11)21-2/h3-6,12H,7-10H2,1-2H3,(H,17,18)(H,19,20)
InChIKeyQPQCEZDBBBGOKK-UHFFFAOYSA-N
XLogP2.00
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[3-(2-hydroxyphenyl)propanoylamino]propanoic acid
CID 43360456
2-[3-(2-chlorophenyl)propanoylamino]-2-cyclopropylpropanoic acid
CID 43172537
N-(1-amino-2-cyclopropylpropan-2-yl)-3-(2-methoxyphenyl)propanamide
CID 119572773
N-[(2S)-2-cyano-3,3-dimethylbutan-2-yl]-3-(2-methoxyphenyl)propanamide
CID 124885091
3-(2-methoxyphenyl)-N-phenylpropanamide
CID 7732837
3-(2-methoxyphenyl)-N-sulfanylpropanamide
CID 134582208
2-[3-(2-methoxyphenyl)propanoylamino]acetic acid
CID 43091942
N-[(1S,2S)-2-hydroxycyclohexyl]-3-(2-methoxyphenyl)propanamide
CID 104956713
(2S)-2-[3-(5-chlorothiophen-2-yl)propanoylamino]-2-cyclopropylpropanoic acid
CID 97337376
3-cyclopentyl-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 78779689
N,3-bis(2-methoxyphenyl)propanamide
CID 17394407
3-(2-aminophenyl)-N-[2-(2-methoxyphenyl)propan-2-yl]propanamide;hydrochloride
CID 120610417

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid (CID 43360411) is 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid is COc1ccccc1CCC(=O)NC(C)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid?
The InChIKey is QPQCEZDBBBGOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(15(19)20,12-8-9-12)17-14(18)10-7-11-5-3-4-6-13(11)21-2/h3-6,12H,7-10H2,1-2H3,(H,17,18)(H,19,20).
What are the key properties of 2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid?
2-cyclopropyl-2-[3-(2-methoxyphenyl)propanoylamino]propanoic acid has a molecular weight of 291.35 g/mol, XLogP of 2.00, 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-(2-methoxyphenyl)propanoylamino]propanoic acid is sourced from PubChem (CID 43360411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).