methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate

C10H19NO3 — CID 15757776

IUPACmethyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate
SMILESCCCCNC(=O)C[C@@H](C)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-5-6-11-9(12)7-8(2)10(13)14-3/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyGSODZKKPAIFTRO-MRVPVSSYSA-N
MW201.27 g/mol
LogP1.10
Rot. Bonds6

About methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate

methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate (PubChem CID 15757776) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate.

Molecular Properties

Compound Namemethyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate
PubChem CID15757776
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate
SMILESCCCCNC(=O)C[C@@H](C)C(=O)OC
InChIInChI=1S/C10H19NO3/c1-4-5-6-11-9(12)7-8(2)10(13)14-3/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1
InChIKeyGSODZKKPAIFTRO-MRVPVSSYSA-N
XLogP1.10
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Oxo-pyrrolidine-3-carboxylic acid methyl ester
CID 13118117
Tenacibactin A
CID 16216278
methyl (2R)-2-[(4-methoxy-4-oxobutanoyl)amino]-3-methylbutanoate
CID 73940628
Methyl 4-acetamidobutyrate
CID 12806311
Butanoic acid, 4-oxo-4-(2-propynylamino)-, methyl ester
CID 86014944
Methyl 4-((3-(methylamino)-3-oxopropyl)amino)-4-oxobutanoate
CID 391821
tert-butyl (3S)-4-(2,2-difluoroethylamino)-3-methyl-4-oxobutanoate
CID 149145230
tert-butyl (3S)-3-methyl-4-oxo-4-(3,3,3-trifluoropropylamino)butanoate
CID 149507288
tert-butyl (3S)-4-(2-fluoroethylamino)-3-methyl-4-oxobutanoate
CID 149595908
4-(Butylamino)-2-methyl-4-oxobutanoic acid
CID 286292
beta-Alanine, N-(3-methylbutyryl)-, methyl ester
CID 546227
Methyl 4-(butylamino)-4-oxobutanoate
CID 15207831

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate?
The IUPAC name of methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate (CID 15757776) is methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate.
What is the SMILES notation for methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate?
The canonical SMILES for methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate is CCCCNC(=O)C[C@@H](C)C(=O)OC.
What is the InChIKey of methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate?
The InChIKey is GSODZKKPAIFTRO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-4-5-6-11-9(12)7-8(2)10(13)14-3/h8H,4-7H2,1-3H3,(H,11,12)/t8-/m1/s1.
What are the key properties of methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate?
methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate has a molecular weight of 201.27 g/mol, XLogP of 1.10, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-4-(butylamino)-2-methyl-4-oxobutanoate is sourced from PubChem (CID 15757776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).