(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

C15H22N2O3 — CID 78976178

IUPAC(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)9-13(14(18)19)16-15(20)17(3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyMIGJIEBEFMCTCA-CYBMUJFWSA-N
MW278.35 g/mol
LogP2.33
Rot. Bonds6

About (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid

(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (PubChem CID 78976178) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
PubChem CID78976178
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid
SMILESCC(C)C[C@@H](NC(=O)N(C)Cc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)9-13(14(18)19)16-15(20)17(3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1
InChIKeyMIGJIEBEFMCTCA-CYBMUJFWSA-N
XLogP2.33
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[benzyl(methyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 61183896
(2S)-2-(2,2-dibenzylhydrazinyl)-4-methylpentanoic acid
CID 72736743
2-[[benzyl(methyl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085362
(2S)-2-[[benzyl(methyl)carbamoyl]amino]-3-phenylpropanoate
CID 6956673
4-methyl-2-[[methyl(2-thiophen-2-ylethyl)carbamoyl]amino]pentanoic acid
CID 79487438
(2S)-4-methyl-2-[[methyl-(2-methylphenyl)carbamoyl]amino]pentanoic acid
CID 78979220
(2R)-2-[[(4-bromothiophen-2-yl)methyl-methylcarbamoyl]amino]-4-methylpentanoic acid
CID 78976487
2-(dimethylcarbamoylamino)-4-methylpentanoic acid
CID 61194019
(2S)-4-methyl-2-[[(2S)-4-methyl-2-[(2-phenylacetyl)amino]pentanoyl]amino]pentanoic acid
CID 40551448
(2R)-4-methyl-2-[[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]amino]pentanoic acid
CID 78923453
4-methyl-2-[[methyl(propan-2-yl)carbamoyl]amino]pentanoic acid
CID 61181963
3-amino-1-benzyl-1-methylurea
CID 43163959

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The IUPAC name of (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid (CID 78976178) is (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid.
What is the SMILES notation for (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The canonical SMILES for (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is CC(C)C[C@@H](NC(=O)N(C)Cc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
The InChIKey is MIGJIEBEFMCTCA-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)9-13(14(18)19)16-15(20)17(3)10-12-7-5-4-6-8-12/h4-8,11,13H,9-10H2,1-3H3,(H,16,20)(H,18,19)/t13-/m1/s1.
What are the key properties of (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid?
(2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[benzyl(methyl)carbamoyl]amino]-4-methylpentanoic acid is sourced from PubChem (CID 78976178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).