2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid

C14H19NO3 — CID 103258095

IUPAC2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc([C@H](C)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-9(11-4-3-5-12(8-11)18-2)15-13(14(16)17)10-6-7-10/h3-5,8-10,13,15H,6-7H2,1-2H3,(H,16,17)/t9-,13?/m0/s1
InChIKeyGPSPUZPEODVOSX-LLTODGECSA-N
MW249.31 g/mol
LogP2.21
Rot. Bonds6

About 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid

2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 103258095) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID103258095
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc([C@H](C)NC(C(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO3/c1-9(11-4-3-5-12(8-11)18-2)15-13(14(16)17)10-6-7-10/h3-5,8-10,13,15H,6-7H2,1-2H3,(H,16,17)/t9-,13?/m0/s1
InChIKeyGPSPUZPEODVOSX-LLTODGECSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 94212365
2-cyclopropyl-2-(3-methoxyphenyl)acetic acid
CID 82024075
(1R)-N-[cyclopropyl(phenyl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 81381917
2,2-bis(3-methoxyphenyl)acetic acid
CID 67016131
2-cyclobutyl-2-(3-methoxyphenyl)acetic acid
CID 82024093
1-cyclopropyl-N-[(1R)-1-(3-methoxyphenyl)ethyl]propan-2-amine
CID 104866423
3-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]butanoic acid
CID 81373766
1,3-dicyclopropyl-1,3-bis(3-methoxyphenyl)propan-2-one
CID 141244570
2-cyclopropyl-2-[[(1R)-1-(4-methylphenyl)ethyl]amino]acetic acid
CID 103258836
2-cyclopropyl-2-[(3-methoxyphenyl)sulfonylamino]acetic acid
CID 81258396
1-cyclopropyl-2-[1-(3-methoxyphenyl)ethylamino]ethanol
CID 63294846
N-(dicyclopropylmethyl)-1-(3-propan-2-yloxyphenyl)ethanamine
CID 43694688

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid (CID 103258095) is 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid is COc1cccc([C@H](C)NC(C(=O)O)C2CC2)c1.
What is the InChIKey of 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is GPSPUZPEODVOSX-LLTODGECSA-N. The full InChI is InChI=1S/C14H19NO3/c1-9(11-4-3-5-12(8-11)18-2)15-13(14(16)17)10-6-7-10/h3-5,8-10,13,15H,6-7H2,1-2H3,(H,16,17)/t9-,13?/m0/s1.
What are the key properties of 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid?
2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 249.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[[(1S)-1-(3-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 103258095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).