(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid

C14H21NO2 — CID 122038582

IUPAC(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
SMILESCCC(CC)CN[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-11(4-2)10-15-13(14(16)17)12-8-6-5-7-9-12/h5-9,11,13,15H,3-4,10H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyCBCQHXCIZDOPTK-ZDUSSCGKSA-N
MW235.33 g/mol
LogP2.84
Rot. Bonds7

About (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid

(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid (PubChem CID 122038582) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid.

Molecular Properties

Compound Name(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
PubChem CID122038582
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid
SMILESCCC(CC)CN[C@H](C(=O)O)c1ccccc1
InChIInChI=1S/C14H21NO2/c1-3-11(4-2)10-15-13(14(16)17)12-8-6-5-7-9-12/h5-9,11,13,15H,3-4,10H2,1-2H3,(H,16,17)/t13-/m0/s1
InChIKeyCBCQHXCIZDOPTK-ZDUSSCGKSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2-ethylphenyl)methylamino]-2-phenylacetic acid
CID 62392789
(2R)-2-(pentylamino)-2-phenylacetic acid
CID 94357515
2-ethyl-N-(1-phenylethyl)butan-1-amine
CID 43177121
(2R)-2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 175322110
2-(2,2-dimethylbutylamino)-2-phenylacetic acid
CID 103462757
2-amino-4-[[(S)-carboxy(phenyl)methyl]amino]-3-phenylbutanoic acid
CID 67916624
2-[(2-hydroxy-2-methylpropyl)amino]-2-phenylacetic acid
CID 62110373
2-(3,3-dimethylbutylamino)-2-phenylacetic acid
CID 62108848
(3S)-3-[[[(1S)-1-phenylethyl]amino]methyl]pentanoic acid
CID 66666559
2-[[2-[bis(2-ethylhexyl)amino]-2-oxoethyl]amino]-2-phenylacetic acid
CID 177435177
2-(2-fluoroethylamino)-2-phenylacetic acid
CID 80695440
2-[5-[[carboxy(phenyl)methyl]amino]pentylamino]-2-phenylacetic acid;hydrobromide
CID 54603034

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid?
The IUPAC name of (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid (CID 122038582) is (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid.
What is the SMILES notation for (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid?
The canonical SMILES for (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid is CCC(CC)CN[C@H](C(=O)O)c1ccccc1.
What is the InChIKey of (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid?
The InChIKey is CBCQHXCIZDOPTK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-11(4-2)10-15-13(14(16)17)12-8-6-5-7-9-12/h5-9,11,13,15H,3-4,10H2,1-2H3,(H,16,17)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid?
(2S)-2-(2-ethylbutylamino)-2-phenylacetic acid has a molecular weight of 235.33 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethylbutylamino)-2-phenylacetic acid is sourced from PubChem (CID 122038582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).