2-(1-phenylpentan-2-ylamino)propanoic acid

C14H21NO2 — CID 122035581

IUPAC2-(1-phenylpentan-2-ylamino)propanoic acid
SMILESCCCC(Cc1ccccc1)NC(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-3-7-13(15-11(2)14(16)17)10-12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3,(H,16,17)
InChIKeyQDMLNZHSJSKSAL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.46
Rot. Bonds7

About 2-(1-phenylpentan-2-ylamino)propanoic acid

2-(1-phenylpentan-2-ylamino)propanoic acid (PubChem CID 122035581) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(1-phenylpentan-2-ylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-phenylpentan-2-ylamino)propanoic acid
PubChem CID122035581
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(1-phenylpentan-2-ylamino)propanoic acid
SMILESCCCC(Cc1ccccc1)NC(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-3-7-13(15-11(2)14(16)17)10-12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3,(H,16,17)
InChIKeyQDMLNZHSJSKSAL-UHFFFAOYSA-N
XLogP2.46
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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-phenylpentan-2-ylamino)hexanoic acid
CID 122039601
(2S)-2-amino-N-(1-phenylpentan-2-yl)propanamide
CID 119317190
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
2-(pentan-2-ylamino)-3-phenylpropan-1-ol
CID 63260839
ethyl 2-(1-phenylbutan-2-ylamino)propanoate
CID 79008142
2-[(1-ethoxy-1-oxo-3-phenylpropan-2-yl)amino]propanoic acid
CID 14036499
2-amino-3-methyl-N-(1-phenylpentan-2-yl)pentanamide;hydrochloride
CID 119772630
methyl 2-[(1-hydroxy-3-phenylpropan-2-yl)amino]propanoate
CID 63261414
(4R)-5-phenyl-4-(propan-2-ylamino)pentanoic acid
CID 155468055
2-methyl-3-[methyl(1-phenylpentan-2-ylcarbamoyl)amino]propanoic acid
CID 122000555
N-(1-phenylpentan-2-yl)formamide
CID 87974467
2-(2-methylpentylamino)-3-phenylpropan-1-ol
CID 63260515

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylpentan-2-ylamino)propanoic acid?
The IUPAC name of 2-(1-phenylpentan-2-ylamino)propanoic acid (CID 122035581) is 2-(1-phenylpentan-2-ylamino)propanoic acid.
What is the SMILES notation for 2-(1-phenylpentan-2-ylamino)propanoic acid?
The canonical SMILES for 2-(1-phenylpentan-2-ylamino)propanoic acid is CCCC(Cc1ccccc1)NC(C)C(=O)O.
What is the InChIKey of 2-(1-phenylpentan-2-ylamino)propanoic acid?
The InChIKey is QDMLNZHSJSKSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-3-7-13(15-11(2)14(16)17)10-12-8-5-4-6-9-12/h4-6,8-9,11,13,15H,3,7,10H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-phenylpentan-2-ylamino)propanoic acid?
2-(1-phenylpentan-2-ylamino)propanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.46, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylpentan-2-ylamino)propanoic acid is sourced from PubChem (CID 122035581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).