2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid

C13H17NO3 — CID 103268089

IUPAC2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NC1(CO)CCC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-13(7-4-8-13)14-11(12(16)17)10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,16,17)
InChIKeyJZDAHFCQWYMSLM-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.32
Rot. Bonds5

About 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid

2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid (PubChem CID 103268089) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid
PubChem CID103268089
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid
SMILESO=C(O)C(NC1(CO)CCC1)c1ccccc1
InChIInChI=1S/C13H17NO3/c15-9-13(7-4-8-13)14-11(12(16)17)10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,16,17)
InChIKeyJZDAHFCQWYMSLM-UHFFFAOYSA-N
XLogP1.32
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[1-(hydroxymethyl)cyclohexyl]-2-phenylacetamide
CID 104897811
2-[(1-cyclopropylcyclopropyl)methylamino]-2-phenylacetic acid
CID 114096527
2-phenyl-2-(spiro[2.4]heptane-2-carbonylamino)acetic acid
CID 119197362
2-[[2-(azetidin-1-yl)-2-oxoethyl]amino]-2-phenylacetic acid
CID 55036831
2-[[1-(hydroxymethyl)cyclopentyl]amino]butanoic acid
CID 64669958
(2R)-2-phenyl-2-(spiro[2.2]pentane-2-carbonylamino)acetic acid
CID 122111245
N-[1-(hydroxymethyl)cyclohexyl]-2-phenylpropane-1-sulfonamide
CID 80691007
N'-hydroxy-3-[[1-(hydroxymethyl)cyclopentyl]amino]-3-phenylpropanimidamide
CID 77027819
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-(cyclooctanecarbonylamino)-2-phenylacetic acid
CID 65018923
(2S)-2-[(1-methylcyclohexyl)carbamoylamino]-2-phenylacetic acid
CID 104899019
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid (CID 103268089) is 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid is O=C(O)C(NC1(CO)CCC1)c1ccccc1.
What is the InChIKey of 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid?
The InChIKey is JZDAHFCQWYMSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c15-9-13(7-4-8-13)14-11(12(16)17)10-5-2-1-3-6-10/h1-3,5-6,11,14-15H,4,7-9H2,(H,16,17).
What are the key properties of 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid?
2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid has a molecular weight of 235.28 g/mol, XLogP of 1.32, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)cyclobutyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 103268089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).