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

C14H19NO4 — CID 81134882

IUPAC2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc(C(O)CN(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO4/c1-19-12-4-2-3-10(7-12)13(16)8-15(9-14(17)18)11-5-6-11/h2-4,7,11,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyXDTRAEOWXGKMHT-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.28
Rot. Bonds7

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

2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid (PubChem CID 81134882) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
PubChem CID81134882
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid
SMILESCOc1cccc(C(O)CN(CC(=O)O)C2CC2)c1
InChIInChI=1S/C14H19NO4/c1-19-12-4-2-3-10(7-12)13(16)8-15(9-14(17)18)11-5-6-11/h2-4,7,11,13,16H,5-6,8-9H2,1H3,(H,17,18)
InChIKeyXDTRAEOWXGKMHT-UHFFFAOYSA-N
XLogP1.28
TPSA70.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]propanoic acid
CID 81134486
2-[cyclopentyl-[1-(3-methoxyphenyl)ethyl]amino]acetic acid
CID 65058402
2-[azetidin-3-yl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133809
2-[ethyl-[3-[[2-hydroxy-2-(3-methoxyphenyl)ethyl]carbamoylamino]cyclobutyl]amino]acetic acid
CID 122025491
1-(3-methoxyphenyl)-2-[methyl(piperidin-4-yl)amino]ethanol
CID 81133297
2-[azetidin-3-yl(methyl)amino]-1-(3-methoxyphenyl)ethanol
CID 81133808
2-[cyclopropyl-[(2,4-dimethoxyphenyl)methyl]amino]acetic acid
CID 39364524
2-[cyclopropylmethyl(ethyl)amino]-1-(3-methoxyphenyl)ethanol
CID 63954429
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-N-methyl-5-oxo-1-phenylpyrrolidine-2-carboxamide
CID 110629551
3-[cyclopropyl-(2-hydroxy-2-phenylethyl)amino]propanoic acid
CID 60886672
2-[1-[2-hydroxy-2-(3-methoxyphenyl)ethyl]piperidin-4-yl]acetic acid
CID 81134822

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid (CID 81134882) is 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid is COc1cccc(C(O)CN(CC(=O)O)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid?
The InChIKey is XDTRAEOWXGKMHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-19-12-4-2-3-10(7-12)13(16)8-15(9-14(17)18)11-5-6-11/h2-4,7,11,13,16H,5-6,8-9H2,1H3,(H,17,18).
What are the key properties of 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid?
2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid has a molecular weight of 265.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-hydroxy-2-(3-methoxyphenyl)ethyl]amino]acetic acid is sourced from PubChem (CID 81134882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).