2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid

C16H24N2O3 — CID 104903758

IUPAC2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-10(2)9-13(17)14(19)18-12-7-5-11(6-8-12)16(3,4)15(20)21/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyIPWVHFBRARULEU-CYBMUJFWSA-N
MW292.38 g/mol
LogP2.36
Rot. Bonds6

About 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid

2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid (PubChem CID 104903758) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
PubChem CID104903758
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid
SMILESCC(C)C[C@@H](N)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1
InChIInChI=1S/C16H24N2O3/c1-10(2)9-13(17)14(19)18-12-7-5-11(6-8-12)16(3,4)15(20)21/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1
InChIKeyIPWVHFBRARULEU-CYBMUJFWSA-N
XLogP2.36
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(4-hydroxyphenyl)-4-methylpentanamide
CID 22768242
2-methyl-2-[4-(2,3,3-trimethylbutanoylamino)phenyl]propanoic acid
CID 120688065
2-amino-4-methyl-N-(4-propan-2-ylphenyl)pentanamide
CID 24696711
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-phenylbenzamide
CID 119756457
2-methyl-2-[4-(2-methylpropylcarbamoylamino)phenyl]propanoic acid
CID 80555855
(E)-3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]prop-2-enoic acid
CID 104903835
3-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]butanoic acid
CID 104903971
(2S)-2-amino-4-methyl-N-(4-methylsulfonylphenyl)pentanamide
CID 61148804
(2S)-2-amino-4-methyl-N-(4-propan-2-yloxyphenyl)pentanamide
CID 22691065
4-[[(2S)-2-amino-4-methylpentanoyl]amino]-N-ethylbenzamide;hydrochloride
CID 119714147
5-[(2-amino-4-methylpentanoyl)amino]benzene-1,3-dicarboxylic acid
CID 61162411
N-[4-[[(2S)-2-amino-4-methylpentanoyl]amino]phenyl]cyclopropanecarboxamide
CID 61252642

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid?
The IUPAC name of 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid (CID 104903758) is 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid.
What is the SMILES notation for 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid?
The canonical SMILES for 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid is CC(C)C[C@@H](N)C(=O)Nc1ccc(C(C)(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid?
The InChIKey is IPWVHFBRARULEU-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(2)9-13(17)14(19)18-12-7-5-11(6-8-12)16(3,4)15(20)21/h5-8,10,13H,9,17H2,1-4H3,(H,18,19)(H,20,21)/t13-/m1/s1.
What are the key properties of 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid?
2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-2-amino-4-methylpentanoyl]amino]phenyl]-2-methylpropanoic acid is sourced from PubChem (CID 104903758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).