2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid

C7H14N2O3 — CID 43442200

IUPAC2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)C(C)N(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(7(12)8-2)9(3)4-6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)
InChIKeySYJSTDMUOWTBSI-UHFFFAOYSA-N
MW174.20 g/mol
LogP-0.86
Rot. Bonds4

About 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid

2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid (PubChem CID 43442200) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
PubChem CID43442200
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
SMILESCNC(=O)C(C)N(C)CC(=O)O
InChIInChI=1S/C7H14N2O3/c1-5(7(12)8-2)9(3)4-6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11)
InChIKeySYJSTDMUOWTBSI-UHFFFAOYSA-N
XLogP-0.86
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[carboxymethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 63646159
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
2-[[1-(methylamino)-1-oxopropan-2-yl]-(2-methylpropyl)amino]acetic acid
CID 63065911
2-[2-aminopropyl(methyl)amino]-N-methylpropanamide
CID 63760672
2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanoic acid
CID 43216485
methyl 2-methyl-3-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]propanoate
CID 62013602
2-[[1-(3-amino-4-methylanilino)-1-oxopropan-2-yl]-methylamino]acetic acid
CID 82224892
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
CID 60987240
3-[ethyl-[1-(methylamino)-1-oxopropan-2-yl]amino]butanoic acid
CID 62826739
2-[acetyl(ethyl)amino]-N-methylpropanamide
CID 58672021
N-(ethylcarbamoyl)-2-[methyl-[2-(methylamino)-2-oxoethyl]amino]propanamide
CID 78825733
(2S)-2-[(4-acetylphenyl)methyl-methylamino]-N-methylpropanamide
CID 95125483

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The IUPAC name of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid (CID 43442200) is 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid.
What is the SMILES notation for 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The canonical SMILES for 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid is CNC(=O)C(C)N(C)CC(=O)O.
What is the InChIKey of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
The InChIKey is SYJSTDMUOWTBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-5(7(12)8-2)9(3)4-6(10)11/h5H,4H2,1-3H3,(H,8,12)(H,10,11).
What are the key properties of 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid?
2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid has a molecular weight of 174.20 g/mol, XLogP of -0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[1-(methylamino)-1-oxopropan-2-yl]amino]acetic acid is sourced from PubChem (CID 43442200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).