(2R)-2-(pentylamino)-2-phenylacetic acid

C13H19NO2 — CID 94357515

IUPAC(2R)-2-(pentylamino)-2-phenylacetic acid
SMILESCCCCCN[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-7-10-14-12(13(15)16)11-8-5-4-6-9-11/h4-6,8-9,12,14H,2-3,7,10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyLLLVXYGATGWKGR-GFCCVEGCSA-N
MW221.30 g/mol
LogP2.59
Rot. Bonds7

About (2R)-2-(pentylamino)-2-phenylacetic acid

(2R)-2-(pentylamino)-2-phenylacetic acid (PubChem CID 94357515) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (2R)-2-(pentylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2R)-2-(pentylamino)-2-phenylacetic acid
PubChem CID94357515
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(2R)-2-(pentylamino)-2-phenylacetic acid
SMILESCCCCCN[C@@H](C(=O)O)c1ccccc1
InChIInChI=1S/C13H19NO2/c1-2-3-7-10-14-12(13(15)16)11-8-5-4-6-9-11/h4-6,8-9,12,14H,2-3,7,10H2,1H3,(H,15,16)/t12-/m1/s1
InChIKeyLLLVXYGATGWKGR-GFCCVEGCSA-N
XLogP2.59
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034
2-[7-[[carboxy(phenyl)methyl]amino]heptylamino]-2-phenylacetic acid;hydrobromide
CID 54599011
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
2-(4-ethoxyphenyl)-2-(pentylamino)acetic acid
CID 82344794
2-(butylamino)-2-phenylacetamide
CID 14569005
(2R)-2-(pentylcarbamoylamino)-2-phenylacetic acid
CID 61183256
2-(butylamino)-2-(4-ethylphenyl)acetic acid
CID 84747252
2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
(2S)-2-(hexanoylamino)-2-phenylacetic acid
CID 28880777
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
CID 122038049

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pentylamino)-2-phenylacetic acid?
The IUPAC name of (2R)-2-(pentylamino)-2-phenylacetic acid (CID 94357515) is (2R)-2-(pentylamino)-2-phenylacetic acid.
What is the SMILES notation for (2R)-2-(pentylamino)-2-phenylacetic acid?
The canonical SMILES for (2R)-2-(pentylamino)-2-phenylacetic acid is CCCCCN[C@@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2R)-2-(pentylamino)-2-phenylacetic acid?
The InChIKey is LLLVXYGATGWKGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-7-10-14-12(13(15)16)11-8-5-4-6-9-11/h4-6,8-9,12,14H,2-3,7,10H2,1H3,(H,15,16)/t12-/m1/s1.
What are the key properties of (2R)-2-(pentylamino)-2-phenylacetic acid?
(2R)-2-(pentylamino)-2-phenylacetic acid has a molecular weight of 221.30 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pentylamino)-2-phenylacetic acid is sourced from PubChem (CID 94357515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).