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

C10H19NO4 — CID 119368911

IUPAC(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid
SMILESCCC(OC)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-5-7(15-4)9(12)11-8(6(2)3)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7?,8-/m1/s1
InChIKeyMGNMRMXNQLBWML-BRFYHDHCSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds6

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

(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid (PubChem CID 119368911) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid.

Molecular Properties

Compound Name(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid
PubChem CID119368911
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid
SMILESCCC(OC)C(=O)N[C@@H](C(=O)O)C(C)C
InChIInChI=1S/C10H19NO4/c1-5-7(15-4)9(12)11-8(6(2)3)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7?,8-/m1/s1
InChIKeyMGNMRMXNQLBWML-BRFYHDHCSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[(2R,3S)-2-hydroxy-3-methylpentanoyl]amino]-3-methylbutanoic acid
CID 101466455
2-[(3-methoxy-2-methylpropanoyl)amino]-3-methylbutanoic acid
CID 119170014
2-[[2-[[2-[(2-amino-3-methylpentanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]amino]-3-methylbutanoic acid
CID 22702457
3-methyl-2-(2-methylpentanoylamino)butanoic acid
CID 43209765
(2S,3S)-2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 61137926
2-[(2-acetamido-3-methylbutanoyl)amino]-3-methylpentanoic acid
CID 43171197
(2S)-2-(2-carboxypropanoylamino)-3-methylbutanoic acid
CID 122065069
(2S,3S)-3-methyl-2-(2-methylpropanoylamino)pentanoic acid
CID 30050139
3-methyl-2-[[3-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoyl]amino]butanoic acid
CID 14446127
(2R)-2-(2-methoxybutanoylamino)-2-phenylacetic acid
CID 119367809
2-ethoxy-N-propan-2-ylpropanamide;2-methoxy-N-propan-2-ylbutanamide
CID 169160521
2-[(2-hydroxy-3-methylbutanoyl)amino]-3-methylbutanoic acid
CID 71336736

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid?
The IUPAC name of (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid (CID 119368911) is (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid.
What is the SMILES notation for (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid?
The canonical SMILES for (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid is CCC(OC)C(=O)N[C@@H](C(=O)O)C(C)C.
What is the InChIKey of (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid?
The InChIKey is MGNMRMXNQLBWML-BRFYHDHCSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7(15-4)9(12)11-8(6(2)3)10(13)14/h6-8H,5H2,1-4H3,(H,11,12)(H,13,14)/t7?,8-/m1/s1.
What are the key properties of (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid?
(2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxybutanoylamino)-3-methylbutanoic acid is sourced from PubChem (CID 119368911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).