(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid

C18H21NO2 — CID 122038049

IUPAC(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
SMILESCC(CCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(15-8-4-2-5-9-15)12-13-19-17(18(20)21)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3,(H,20,21)/t14?,17-/m1/s1
InChIKeyPPFFWKRTGKJYLH-FBMWCMRBSA-N
MW283.37 g/mol
LogP3.60
Rot. Bonds7

About (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid

(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid (PubChem CID 122038049) has the molecular formula C18H21NO2 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid.

Molecular Properties

Compound Name(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
PubChem CID122038049
Molecular FormulaC18H21NO2
Molecular Weight283.37 g/mol
Exact Mass283.16
IUPAC Name(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid
SMILESCC(CCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H21NO2/c1-14(15-8-4-2-5-9-15)12-13-19-17(18(20)21)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3,(H,20,21)/t14?,17-/m1/s1
InChIKeyPPFFWKRTGKJYLH-FBMWCMRBSA-N
XLogP3.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxypentylamino)-2-phenylacetic acid
CID 106136977
2-(3-phenylbutylamino)butanamide
CID 55153879
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
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-[(3-hydroxy-4-methoxybutyl)amino]-2-phenylacetic acid
CID 106248272
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
N-(3-phenylbutyl)benzamide
CID 62403316
2-(4-methoxybutylamino)-2-phenylacetic acid
CID 104648437
(2R)-2-[2-(4-methoxyphenyl)propylamino]-2-phenylacetic acid
CID 122038070
2,2-dimethyl-4-(3-phenylbutylamino)butanoic acid
CID 122084441

Frequently Asked Questions

What is the IUPAC name of (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid?
The IUPAC name of (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid (CID 122038049) is (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid.
What is the SMILES notation for (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid?
The canonical SMILES for (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid is CC(CCN[C@@H](C(=O)O)c1ccccc1)c1ccccc1.
What is the InChIKey of (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid?
The InChIKey is PPFFWKRTGKJYLH-FBMWCMRBSA-N. The full InChI is InChI=1S/C18H21NO2/c1-14(15-8-4-2-5-9-15)12-13-19-17(18(20)21)16-10-6-3-7-11-16/h2-11,14,17,19H,12-13H2,1H3,(H,20,21)/t14?,17-/m1/s1.
What are the key properties of (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid?
(2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid has a molecular weight of 283.37 g/mol, XLogP of 3.60, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-phenyl-2-(3-phenylbutylamino)acetic acid is sourced from PubChem (CID 122038049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).