2-[methyl(2-oxopropyl)amino]propanoic acid

C7H13NO3 — CID 59576342

IUPAC2-[methyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(C)C(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(9)4-8(3)6(2)7(10)11/h6H,4H2,1-3H3,(H,10,11)
InChIKeyUXXXBDBVMBRSQO-UHFFFAOYSA-N
MW159.18 g/mol
LogP-0.02
Rot. Bonds4

About 2-[methyl(2-oxopropyl)amino]propanoic acid

2-[methyl(2-oxopropyl)amino]propanoic acid (PubChem CID 59576342) has the molecular formula C7H13NO3 and a molecular weight of 159.18 g/mol. Its IUPAC name is 2-[methyl(2-oxopropyl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl(2-oxopropyl)amino]propanoic acid
PubChem CID59576342
Molecular FormulaC7H13NO3
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2-[methyl(2-oxopropyl)amino]propanoic acid
SMILESCC(=O)CN(C)C(C)C(=O)O
InChIInChI=1S/C7H13NO3/c1-5(9)4-8(3)6(2)7(10)11/h6H,4H2,1-3H3,(H,10,11)
InChIKeyUXXXBDBVMBRSQO-UHFFFAOYSA-N
XLogP-0.02
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 5-0.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
ethane;1-[methyl(propan-2-yl)amino]propan-2-one
CID 178033962
2-[2-carboxyethyl(2-oxopropyl)amino]propanoic acid
CID 82329086
2-[[2-(3,3-dimethylbutylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 119913153
(2R)-2-[[2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-2-oxoethyl]-methylamino]propanoic acid
CID 124835751
2-[[2-(cyclopentylamino)-2-oxoethyl]-methylamino]propanoic acid;hydrochloride
CID 119913701
2-[[(E)-3-chloroprop-2-enyl]-methylamino]propanoic acid
CID 62637426
(2S)-2-(dimethylamino)propanoic acid;hydrochloride
CID 71350321
acetic acid;2-(dimethylamino)propanoic acid;guanidine
CID 159632012
2-[[2-(cyclopropylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62638909
1-[(1-hydroxy-1-phenylpropan-2-yl)-methylamino]propan-2-one
CID 85280198
2-[methyl-[(2-methylphenyl)methyl]amino]propanoic acid
CID 61412127

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(2-oxopropyl)amino]propanoic acid?
The IUPAC name of 2-[methyl(2-oxopropyl)amino]propanoic acid (CID 59576342) is 2-[methyl(2-oxopropyl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl(2-oxopropyl)amino]propanoic acid?
The canonical SMILES for 2-[methyl(2-oxopropyl)amino]propanoic acid is CC(=O)CN(C)C(C)C(=O)O.
What is the InChIKey of 2-[methyl(2-oxopropyl)amino]propanoic acid?
The InChIKey is UXXXBDBVMBRSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO3/c1-5(9)4-8(3)6(2)7(10)11/h6H,4H2,1-3H3,(H,10,11).
What are the key properties of 2-[methyl(2-oxopropyl)amino]propanoic acid?
2-[methyl(2-oxopropyl)amino]propanoic acid has a molecular weight of 159.18 g/mol, XLogP of -0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(2-oxopropyl)amino]propanoic acid is sourced from PubChem (CID 59576342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).