2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid

C16H23NO3 — CID 103159342

IUPAC2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid
SMILESO=C(O)C(NCC(O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c18-14(10-12-6-4-5-7-12)11-17-15(16(19)20)13-8-2-1-3-9-13/h1-3,8-9,12,14-15,17-18H,4-7,10-11H2,(H,19,20)
InChIKeyVIFMPLOHVFJBQS-UHFFFAOYSA-N
MW277.36 g/mol
LogP2.34
Rot. Bonds7

About 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid

2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid (PubChem CID 103159342) has the molecular formula C16H23NO3 and a molecular weight of 277.36 g/mol. Its IUPAC name is 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid
PubChem CID103159342
Molecular FormulaC16H23NO3
Molecular Weight277.36 g/mol
Exact Mass277.17
IUPAC Name2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid
SMILESO=C(O)C(NCC(O)CC1CCCC1)c1ccccc1
InChIInChI=1S/C16H23NO3/c18-14(10-12-6-4-5-7-12)11-17-15(16(19)20)13-8-2-1-3-9-13/h1-3,8-9,12,14-15,17-18H,4-7,10-11H2,(H,19,20)
InChIKeyVIFMPLOHVFJBQS-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.36
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-[[(2R)-1-amino-3-cyclohexyl-1-oxopropan-2-yl]amino]-2-phenylacetic acid
CID 140552299
(2S)-3-cyclopentyl-2-phenylpropanoic acid
CID 94855821
2-[(2-cycloheptylacetyl)amino]-2-phenylacetic acid
CID 115909766
(2R)-2-(cyclobutylmethylsulfonylamino)-2-phenylacetic acid
CID 122069426
(2S)-2-phenyl-2-[(4-propan-2-ylcyclohexyl)methylamino]acetic acid
CID 122038525
2-cyclopentyl-1-phenylethanol
CID 15629098
(2R)-2-(cyclohexylmethylcarbamoylamino)-2-phenylacetic acid
CID 61197265
2-[[cyclohexylmethyl(hydroxy)phosphoryl]amino]-2-phenylacetic acid
CID 18472816
1-cyclopentyl-3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]propan-2-ol
CID 103158093
(2S)-2-(2-cyclopentylethylcarbamoylamino)-2-phenylacetic acid
CID 103995518
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
CID 122038582
(2S)-2-[(4,4-dimethylcyclohexyl)methylamino]-2-phenylacetic acid
CID 120511851

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid?
The IUPAC name of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid (CID 103159342) is 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid?
The canonical SMILES for 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid is O=C(O)C(NCC(O)CC1CCCC1)c1ccccc1.
What is the InChIKey of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid?
The InChIKey is VIFMPLOHVFJBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO3/c18-14(10-12-6-4-5-7-12)11-17-15(16(19)20)13-8-2-1-3-9-13/h1-3,8-9,12,14-15,17-18H,4-7,10-11H2,(H,19,20).
What are the key properties of 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid?
2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid has a molecular weight of 277.36 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopentyl-2-hydroxypropyl)amino]-2-phenylacetic acid is sourced from PubChem (CID 103159342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).