(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid

C13H17NO3 — CID 66513071

IUPAC(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C13H17NO3/c14-12(13(15)16)9-4-3-7-11(8-9)17-10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6,14H2,(H,15,16)/t12-/m0/s1
InChIKeyADGKFVMBWIVTQL-LBPRGKRZSA-N
MW235.28 g/mol
LogP2.09
Rot. Bonds4

About (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid

(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid (PubChem CID 66513071) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid.

Molecular Properties

Compound Name(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
PubChem CID66513071
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid
SMILESN[C@H](C(=O)O)c1cccc(OC2CCCC2)c1
InChIInChI=1S/C13H17NO3/c14-12(13(15)16)9-4-3-7-11(8-9)17-10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6,14H2,(H,15,16)/t12-/m0/s1
InChIKeyADGKFVMBWIVTQL-LBPRGKRZSA-N
XLogP2.09
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(3-cyclopentyloxyphenyl)ethane-1,2-diamine
CID 66517730
ethyl 2-(3-cyclopentyloxyphenyl)-2-hydroxyacetate
CID 117415048
1-cyclopentyloxy-3-propan-2-ylbenzene
CID 140909564
2-amino-1-(3-cyclohexyloxyphenyl)ethanol
CID 83824323
(2S)-2-amino-2-[3-(difluoromethoxy)phenyl]acetic acid
CID 66512368
2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 77129521
(2S)-2-amino-2-(4-cyclopentyloxy-3-methoxyphenyl)acetic acid
CID 66513349
3-cyclopentyloxybenzamide
CID 71932153
7-bicyclo[4.1.0]heptanyl-(3-cyclopropyloxyphenyl)methanol
CID 115838516
(2R)-2-amino-2-(3-ethoxyphenyl)acetic acid
CID 7046833
(2S)-2-amino-2-(3-cyclopropyloxyphenyl)ethanol
CID 129319999
2-[3-(oxan-4-yloxy)phenyl]propanoic acid
CID 115005001

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid?
The IUPAC name of (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid (CID 66513071) is (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid.
What is the SMILES notation for (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid?
The canonical SMILES for (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid is N[C@H](C(=O)O)c1cccc(OC2CCCC2)c1.
What is the InChIKey of (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid?
The InChIKey is ADGKFVMBWIVTQL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H17NO3/c14-12(13(15)16)9-4-3-7-11(8-9)17-10-5-1-2-6-10/h3-4,7-8,10,12H,1-2,5-6,14H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid?
(2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid has a molecular weight of 235.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-(3-cyclopentyloxyphenyl)acetic acid is sourced from PubChem (CID 66513071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).