2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid

C14H19NO3 — CID 65059963

IUPAC2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
SMILESCCOc1cccc(CNC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-2-18-12-5-3-4-10(8-12)9-15-13(14(16)17)11-6-7-11/h3-5,8,11,13,15H,2,6-7,9H2,1H3,(H,16,17)
InChIKeyMAFNETFTYPXNFP-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.04
Rot. Bonds7

About 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid

2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid (PubChem CID 65059963) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
PubChem CID65059963
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid
SMILESCCOc1cccc(CNC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-2-18-12-5-3-4-10(8-12)9-15-13(14(16)17)11-6-7-11/h3-5,8,11,13,15H,2,6-7,9H2,1H3,(H,16,17)
InChIKeyMAFNETFTYPXNFP-UHFFFAOYSA-N
XLogP2.04
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[3-(trifluoromethoxy)phenyl]methylamino]acetic acid
CID 107105253
2-[(3-ethoxyphenyl)methylamino]propanoic acid
CID 61499824
2-[(3-carbamoylphenyl)methylamino]-2-cyclopropylacetic acid
CID 62696371
2-[(3-ethoxyphenyl)methylamino]-N-pentan-3-ylpropanamide
CID 60872987
N-[(3-ethoxyphenyl)methyl]-1-(1-methylpiperidin-4-yl)ethanamine
CID 60873726
N-[(3-ethoxyphenyl)methyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 60873909
4-[(3-ethoxyphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120672581
2-cyclopropyl-2-(pyridin-3-ylmethylamino)acetic acid
CID 62696587
4-[(3-ethoxyphenyl)methylamino]-2,3-dimethyl-4-oxobutanoic acid
CID 103496650
3-[(3-ethoxyphenyl)methylamino]-4-methylpentan-1-ol
CID 111469199
(2R)-N-[(3-ethoxyphenyl)methyl]butan-2-amine
CID 40726178
(2R)-2-[(3-ethoxyphenyl)methylamino]butan-1-ol
CID 40727274

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid (CID 65059963) is 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid is CCOc1cccc(CNC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid?
The InChIKey is MAFNETFTYPXNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-2-18-12-5-3-4-10(8-12)9-15-13(14(16)17)11-6-7-11/h3-5,8,11,13,15H,2,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid?
2-cyclopropyl-2-[(3-ethoxyphenyl)methylamino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.04, 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-ethoxyphenyl)methylamino]acetic acid is sourced from PubChem (CID 65059963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).