(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid

C10H18N2O4 — CID 79010789

IUPAC(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid
SMILESCC(=O)NCCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-6(2)9(10(15)16)12-8(14)4-5-11-7(3)13/h6,9H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m1/s1
InChIKeySTPUJEFPJNHIOM-SECBINFHSA-N
MW230.26 g/mol
LogP-0.26
Rot. Bonds6

About (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid

(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid (PubChem CID 79010789) has the molecular formula C10H18N2O4 and a molecular weight of 230.26 g/mol. Its IUPAC name is (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid
PubChem CID79010789
Molecular FormulaC10H18N2O4
Molecular Weight230.26 g/mol
Exact Mass230.13
IUPAC Name(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid
SMILESCC(=O)NCCC(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H18N2O4/c1-6(2)9(10(15)16)12-8(14)4-5-11-7(3)13/h6,9H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m1/s1
InChIKeySTPUJEFPJNHIOM-SECBINFHSA-N
XLogP-0.26
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 5-0.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (2S)-2-(3-acetamidopropanoylamino)-3-methylbutanoate
CID 80707260
(2R)-3-methyl-2-[[4-oxo-4-(propylamino)butanoyl]amino]butanoic acid
CID 92919705
(2S)-2-(3-acetamidopropanoylamino)-3,3-dimethylbutanoic acid
CID 61144264
(2S)-2-[3-(tert-butylamino)propanoylamino]-3-methylbutanoic acid
CID 61174193
(2S)-2-(3-hydroxypropanoylamino)-3-methylbutanoic acid
CID 87567267
2-[3-(cyclopentanecarbonylamino)propanoylamino]-3-methylbutanoic acid
CID 43354069
(2S)-2-(3-acetamidopropanoylamino)-4-methylpentanoic acid
CID 61137787
(2S)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 119359647
(2R)-2-[[5-(ethylamino)-5-oxopentanoyl]amino]-3-methylbutanoic acid
CID 119368410
2-[[4-(2-methoxyethylamino)-4-oxobutanoyl]amino]-3-methylbutanoic acid
CID 82043220
2-(6-acetamidohexanoylamino)-3-methylpentanoic acid
CID 43356416
3-acetamido-N-butan-2-ylpropanamide;ethane
CID 153386915

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid (CID 79010789) is (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid is CC(=O)NCCC(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid?
The InChIKey is STPUJEFPJNHIOM-SECBINFHSA-N. The full InChI is InChI=1S/C10H18N2O4/c1-6(2)9(10(15)16)12-8(14)4-5-11-7(3)13/h6,9H,4-5H2,1-3H3,(H,11,13)(H,12,14)(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid?
(2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid has a molecular weight of 230.26 g/mol, XLogP of -0.26, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-acetamidopropanoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 79010789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).