2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid

C10H19NO4 — CID 115352711

IUPAC2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
SMILESCCC(N[C@H](C(=O)OC)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-7(9(12)13)11-8(6(2)3)10(14)15-4/h6-8,11H,5H2,1-4H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyMKRVGOZSCBUDPA-MQWKRIRWSA-N
MW217.26 g/mol
LogP0.64
Rot. Bonds6

About 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid

2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid (PubChem CID 115352711) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid.

Molecular Properties

Compound Name2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
PubChem CID115352711
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid
SMILESCCC(N[C@H](C(=O)OC)C(C)C)C(=O)O
InChIInChI=1S/C10H19NO4/c1-5-7(9(12)13)11-8(6(2)3)10(14)15-4/h6-8,11H,5H2,1-4H3,(H,12,13)/t7?,8-/m0/s1
InChIKeyMKRVGOZSCBUDPA-MQWKRIRWSA-N
XLogP0.64
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
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 ≤ 104

Analyze 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid with MolForge

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Related Compounds

2-[(1-methoxy-1-oxobutan-2-yl)amino]-3-methylbutanoic acid
CID 115353276
(2S)-2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]pent-4-enoic acid
CID 11031649
methyl (2R)-3-methyl-2-(propan-2-ylamino)butanoate
CID 59435909
3-methoxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 81083929
2-[(1-hydroxy-2-methylpropyl)amino]butanoic acid
CID 88507731
2-(1-hydroxyethylamino)butanoic acid
CID 141327020
methyl (2S)-2-(1-ethylsulfonylpropan-2-ylamino)-3-methylbutanoate
CID 113494507
2-[(2-amino-1-methoxyethyl)amino]butanoic acid
CID 174519980
methyl (2S)-2-[(1-hydroxy-2-methylpropyl)amino]-3-methylbutanoate
CID 165095500
methyl 2-(1-cyanobutan-2-ylamino)-3-methylbutanoate
CID 43452264
(2R)-4-hydroxy-2-[(1-methoxy-3-methyl-1-oxobutan-2-yl)carbamoylamino]butanoic acid
CID 107827176
methyl 2-(3,3-dimethylbutan-2-ylamino)butanoate
CID 104827622

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid?
The IUPAC name of 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid (CID 115352711) is 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid.
What is the SMILES notation for 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid?
The canonical SMILES for 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid is CCC(N[C@H](C(=O)OC)C(C)C)C(=O)O.
What is the InChIKey of 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid?
The InChIKey is MKRVGOZSCBUDPA-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H19NO4/c1-5-7(9(12)13)11-8(6(2)3)10(14)15-4/h6-8,11H,5H2,1-4H3,(H,12,13)/t7?,8-/m0/s1.
What are the key properties of 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid?
2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid has a molecular weight of 217.26 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methoxy-3-methyl-1-oxobutan-2-yl]amino]butanoic acid is sourced from PubChem (CID 115352711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).