2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid

C14H19NO3 — CID 77276673

IUPAC2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid
SMILESCC1(C(NC(CO)c2ccccc2)C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-14(7-8-14)12(13(17)18)15-11(9-16)10-5-3-2-4-6-10/h2-6,11-12,15-16H,7-9H2,1H3,(H,17,18)
InChIKeyUSEMAODOANGEKU-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.56
Rot. Bonds6

About 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid

2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid (PubChem CID 77276673) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid.

Molecular Properties

Compound Name2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid
PubChem CID77276673
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid
SMILESCC1(C(NC(CO)c2ccccc2)C(=O)O)CC1
InChIInChI=1S/C14H19NO3/c1-14(7-8-14)12(13(17)18)15-11(9-16)10-5-3-2-4-6-10/h2-6,11-12,15-16H,7-9H2,1H3,(H,17,18)
InChIKeyUSEMAODOANGEKU-UHFFFAOYSA-N
XLogP1.56
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(1-bicyclo[2.2.2]octanyl)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]acetic acid
CID 169283803
(2S)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-(1-methylcyclopentyl)acetonitrile
CID 102325450
(2S)-2-(1-phenylpropylamino)propanoic acid
CID 90916236
4-[[(1S)-2-hydroxy-1-phenylethyl]amino]pentanoic acid
CID 107862309
(2S)-2-[(2-methyl-1-phenylpropyl)amino]-2-phenylethanol
CID 107862261
(2S)-2-phenyl-2-(1-phenylbutylamino)ethanol
CID 103783978
(2R)-2-[2-(2-hydroxyphenyl)ethylamino]-2-(1-methylcyclopropyl)acetic acid
CID 67416537
2-(2-adamantyl)-2-[(2-hydroxy-1-phenylethyl)amino]acetic acid
CID 174731482
2-(heptan-4-ylamino)-2-phenylethanol
CID 55160187
(2R)-2-[[(1R)-2-hydroxy-1-phenylethyl]amino]-2-thiophen-2-ylacetic acid
CID 11044071
1-amino-N-[(1R)-2-hydroxy-1-phenylethyl]cyclobutane-1-carboxamide
CID 114010313
(2R)-2-phenyl-2-(1-phenylbutan-2-ylamino)ethanol
CID 103788766

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid?
The IUPAC name of 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid (CID 77276673) is 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid.
What is the SMILES notation for 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid?
The canonical SMILES for 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid is CC1(C(NC(CO)c2ccccc2)C(=O)O)CC1.
What is the InChIKey of 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid?
The InChIKey is USEMAODOANGEKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-14(7-8-14)12(13(17)18)15-11(9-16)10-5-3-2-4-6-10/h2-6,11-12,15-16H,7-9H2,1H3,(H,17,18).
What are the key properties of 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid?
2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid has a molecular weight of 249.31 g/mol, XLogP of 1.56, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-1-phenylethyl)amino]-2-(1-methylcyclopropyl)acetic acid is sourced from PubChem (CID 77276673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).