2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid

C14H21NO2 — CID 79398614

IUPAC2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
SMILESCC(Cc1ccccc1)NC(C)C(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-10(9-13-7-5-4-6-8-13)15-12(3)11(2)14(16)17/h4-8,10-12,15H,9H2,1-3H3,(H,16,17)
InChIKeyBZJAFAWCSAKDGP-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.32
Rot. Bonds6

About 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid

2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid (PubChem CID 79398614) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid.

Molecular Properties

Compound Name2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
PubChem CID79398614
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid
SMILESCC(Cc1ccccc1)NC(C)C(C)C(=O)O
InChIInChI=1S/C14H21NO2/c1-10(9-13-7-5-4-6-8-13)15-12(3)11(2)14(16)17/h4-8,10-12,15H,9H2,1-3H3,(H,16,17)
InChIKeyBZJAFAWCSAKDGP-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R,3R)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124512374
(2S,3S)-3-[[(2R)-1-phenylpropan-2-yl]amino]butan-2-ol
CID 124833939
2-methyl-3-(2-phenylethylamino)butanoic acid
CID 79391507
N-methyl-2-(1-phenylpropan-2-ylamino)propanamide
CID 63010546
acetic acid;N-ethyl-1-phenylpropan-2-amine
CID 22214099
2-[[(1S)-1-carboxyethyl]amino]-3-phenylpropanoic acid
CID 155261941
3-methyl-2-(1-phenylpropan-2-ylamino)butanamide
CID 106344213
2-(1-phenylpropan-2-ylamino)hexanoic acid
CID 103250487
(2S)-2,5-diamino-5-(1-phenylpropan-2-ylamino)pentanoic acid
CID 87300907
(2S)-2-[1-(4-chlorophenyl)propan-2-ylamino]-3-phenylpropanoic acid
CID 122037636
(2S,3S)-2-methyl-3-(1-phenylethylamino)butanoic acid
CID 70280028
(1-phenylpropan-2-ylamino)methanol
CID 54463712

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid?
The IUPAC name of 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid (CID 79398614) is 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid.
What is the SMILES notation for 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid?
The canonical SMILES for 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid is CC(Cc1ccccc1)NC(C)C(C)C(=O)O.
What is the InChIKey of 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid?
The InChIKey is BZJAFAWCSAKDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-10(9-13-7-5-4-6-8-13)15-12(3)11(2)14(16)17/h4-8,10-12,15H,9H2,1-3H3,(H,16,17).
What are the key properties of 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid?
2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid has a molecular weight of 235.33 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(1-phenylpropan-2-ylamino)butanoic acid is sourced from PubChem (CID 79398614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).