(2R)-2-acetamido-2,4-dimethylpentanoic acid

C9H17NO3 — CID 22858890

IUPAC(2R)-2-acetamido-2,4-dimethylpentanoic acid
SMILESCC(=O)N[C@](C)(CC(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(2)5-9(4,8(12)13)10-7(3)11/h6H,5H2,1-4H3,(H,10,11)(H,12,13)/t9-/m1/s1
InChIKeyICNYGTJWJCMNNG-SECBINFHSA-N
MW187.24 g/mol
LogP1.01
Rot. Bonds4

About (2R)-2-acetamido-2,4-dimethylpentanoic acid

(2R)-2-acetamido-2,4-dimethylpentanoic acid (PubChem CID 22858890) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is (2R)-2-acetamido-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name(2R)-2-acetamido-2,4-dimethylpentanoic acid
PubChem CID22858890
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Name(2R)-2-acetamido-2,4-dimethylpentanoic acid
SMILESCC(=O)N[C@](C)(CC(C)C)C(=O)O
InChIInChI=1S/C9H17NO3/c1-6(2)5-9(4,8(12)13)10-7(3)11/h6H,5H2,1-4H3,(H,10,11)(H,12,13)/t9-/m1/s1
InChIKeyICNYGTJWJCMNNG-SECBINFHSA-N
XLogP1.01
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3,5-dimethyl-2-oxohexan-3-yl)acetamide
CID 163676270
(2S)-2-acetamido-2-methylbutanoic acid
CID 71355971
methyl 2-acetamido-2,4-dimethylpentanoate
CID 24978228
2,4-dimethyl-2-(2-methylpropylamino)pentanoic acid
CID 61001424
2,4-dimethyl-2-(prop-2-enylamino)pentanoic acid
CID 61341230
(2S)-2-acetamido-3-acetyloxy-2-methylpropanoic acid
CID 102238422
bis(2,4-dimethylpentan-2-yl) carbonate
CID 87132187
2-[2-(dimethylamino)ethylamino]-2,4-dimethylpentanoic acid
CID 61001781
N-hydroxyacetamide;2,2,4-trimethylpentane
CID 153344333
2-(2-ethoxyethylamino)-2,4-dimethylpentanoic acid
CID 114989242
2,4-dimethyl-2-[2-[methyl(propan-2-yl)amino]ethylamino]pentanoic acid
CID 115002535
(2R)-4-hydroxy-2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 87361724

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-2,4-dimethylpentanoic acid?
The IUPAC name of (2R)-2-acetamido-2,4-dimethylpentanoic acid (CID 22858890) is (2R)-2-acetamido-2,4-dimethylpentanoic acid.
What is the SMILES notation for (2R)-2-acetamido-2,4-dimethylpentanoic acid?
The canonical SMILES for (2R)-2-acetamido-2,4-dimethylpentanoic acid is CC(=O)N[C@](C)(CC(C)C)C(=O)O.
What is the InChIKey of (2R)-2-acetamido-2,4-dimethylpentanoic acid?
The InChIKey is ICNYGTJWJCMNNG-SECBINFHSA-N. The full InChI is InChI=1S/C9H17NO3/c1-6(2)5-9(4,8(12)13)10-7(3)11/h6H,5H2,1-4H3,(H,10,11)(H,12,13)/t9-/m1/s1.
What are the key properties of (2R)-2-acetamido-2,4-dimethylpentanoic acid?
(2R)-2-acetamido-2,4-dimethylpentanoic acid has a molecular weight of 187.24 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-2,4-dimethylpentanoic acid is sourced from PubChem (CID 22858890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).