(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid

C15H22N2O3 — CID 78976234

IUPAC(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyBWEOENRTRNRORN-CYBMUJFWSA-N
MW278.35 g/mol
LogP2.03
Rot. Bonds7

About (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid

(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid (PubChem CID 78976234) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
PubChem CID78976234
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid
SMILESCC(C)C[C@@H](NC(=O)NCCc1ccccc1)C(=O)O
InChIInChI=1S/C15H22N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1
InChIKeyBWEOENRTRNRORN-CYBMUJFWSA-N
XLogP2.03
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62315044
4-methyl-2-[2-(3-methylphenyl)ethylcarbamoylamino]pentanoic acid
CID 62313412
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 3724243
2-[2-(2-fluorophenyl)ethylcarbamoylamino]-4-methylpentanoic acid
CID 4222728
(2R)-4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 104591974
4-methyl-2-(2-phenylpropylcarbamoylamino)pentanoic acid
CID 103994328
4-methyl-2-(3-methylbutylcarbamoylamino)pentanoic acid
CID 5203078
(2R)-3,3-dimethyl-2-(2-phenylethylcarbamoylamino)butanoic acid
CID 103927529
2-(2-methylsulfinylethylcarbamoylamino)-4-phenylbutanoic acid
CID 114920604
(2S)-4-methyl-2-(4-methylpentylcarbamoylamino)pentanoic acid
CID 63003592
(2S)-2-(2-methylsulfanylethylcarbamoylamino)-4-phenylbutanoic acid
CID 104983626
4-chloro-N-[4-methyl-1-oxo-1-(2-phenylethylamino)pentan-2-yl]benzamide
CID 55334565

Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid (CID 78976234) is (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid is CC(C)C[C@@H](NC(=O)NCCc1ccccc1)C(=O)O.
What is the InChIKey of (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid?
The InChIKey is BWEOENRTRNRORN-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-11(2)10-13(14(18)19)17-15(20)16-9-8-12-6-4-3-5-7-12/h3-7,11,13H,8-10H2,1-2H3,(H,18,19)(H2,16,17,20)/t13-/m1/s1.
What are the key properties of (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid?
(2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.03, 7 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-2-(2-phenylethylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 78976234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).