(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid

C14H27NO3 — CID 54292469

IUPAC(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(CC(C)C)C(=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)7-12(14(17)18)15(8-10(3)4)13(16)11(5)6/h9-12H,7-8H2,1-6H3,(H,17,18)/t12-/m0/s1
InChIKeyRYMALNNYLPAZKW-LBPRGKRZSA-N
MW257.37 g/mol
LogP2.63
Rot. Bonds7

About (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid

(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid (PubChem CID 54292469) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid.

Molecular Properties

Compound Name(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid
PubChem CID54292469
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid
SMILESCC(C)C[C@@H](C(=O)O)N(CC(C)C)C(=O)C(C)C
InChIInChI=1S/C14H27NO3/c1-9(2)7-12(14(17)18)15(8-10(3)4)13(16)11(5)6/h9-12H,7-8H2,1-6H3,(H,17,18)/t12-/m0/s1
InChIKeyRYMALNNYLPAZKW-LBPRGKRZSA-N
XLogP2.63
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-carboxypropyl(2-methylpropanoyl)amino]butanoic acid
CID 82323705
(2S)-2-(dibromoamino)-4-methylpentanoic acid
CID 57045725
(2S)-2-(dimethylamino)-4-methylpentanoic acid;hydrochloride
CID 138393753
(2S)-2-[3-carboxybut-2-en-2-yl(carboxymethyl)amino]-4-methylpentanoic acid
CID 174693091
(2S)-2-[bis(methoxycarbonyl)amino]-4-methylpentanoic acid
CID 174649124
3-[butan-2-yl(2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 82323658
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
CID 134524402
4-methyl-2-[propanoyl(sulfanyl)amino]pentanoic acid
CID 87491523
2-[methoxycarbonyl(methyl)amino]-4-methylpentanoic acid
CID 10608215
2-[2-carboxyethyl(3-methylbut-2-enoyl)amino]-4-methylpentanoic acid
CID 82326196
(2R)-2-[acetyl-[(2,5-dioxopyrrolidin-1-yl)methyl]amino]-4-methylpentanoic acid
CID 1219934
(2R)-2-[bis(methylsulfamoyl)amino]-4-methylpentanoic acid
CID 141451916

Frequently Asked Questions

What is the IUPAC name of (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid?
The IUPAC name of (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid (CID 54292469) is (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid.
What is the SMILES notation for (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid?
The canonical SMILES for (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid is CC(C)C[C@@H](C(=O)O)N(CC(C)C)C(=O)C(C)C.
What is the InChIKey of (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid?
The InChIKey is RYMALNNYLPAZKW-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H27NO3/c1-9(2)7-12(14(17)18)15(8-10(3)4)13(16)11(5)6/h9-12H,7-8H2,1-6H3,(H,17,18)/t12-/m0/s1.
What are the key properties of (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid?
(2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid has a molecular weight of 257.37 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-methyl-2-[2-methylpropanoyl(2-methylpropyl)amino]pentanoic acid is sourced from PubChem (CID 54292469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).