3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid

C9H17N3O4 — CID 60987240

IUPAC3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCNC(=O)NC(=O)C(C)N(C)CCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-6(8(15)11-9(16)10-2)12(3)5-4-7(13)14/h6H,4-5H2,1-3H3,(H,13,14)(H2,10,11,15,16)
InChIKeyMUTLGWRGUFUNJJ-UHFFFAOYSA-N
MW231.25 g/mol
LogP-0.76
Rot. Bonds5

About 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid

3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid (PubChem CID 60987240) has the molecular formula C9H17N3O4 and a molecular weight of 231.25 g/mol. Its IUPAC name is 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
PubChem CID60987240
Molecular FormulaC9H17N3O4
Molecular Weight231.25 g/mol
Exact Mass231.12
IUPAC Name3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid
SMILESCNC(=O)NC(=O)C(C)N(C)CCC(=O)O
InChIInChI=1S/C9H17N3O4/c1-6(8(15)11-9(16)10-2)12(3)5-4-7(13)14/h6H,4-5H2,1-3H3,(H,13,14)(H2,10,11,15,16)
InChIKeyMUTLGWRGUFUNJJ-UHFFFAOYSA-N
XLogP-0.76
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(N-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]anilino)propanoic acid
CID 60840258
(2S)-N-(methylcarbamoyl)-2-[methyl(4-phenylbutyl)amino]propanamide
CID 94184029
N-(methylcarbamoyl)-2-[methyl(2-phenoxyethyl)amino]propanamide
CID 18083553
2-[(2-hydroxy-2-methylpropyl)-methylamino]-N-(methylcarbamoyl)propanamide
CID 79389621
(2S)-N-(methylcarbamoyl)-2-[methyl(3-phenoxypropyl)amino]propanamide
CID 37115733
(2R)-N-methyl-2-[methyl-[2-[methyl-[(2R)-1-(methylamino)-1-oxopropan-2-yl]amino]ethyl]amino]propanamide
CID 101497284
N-(methylcarbamoyl)-2-[methyl(2-piperazin-1-ylethyl)amino]propanamide
CID 63266126
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362
(2S)-2-[(4-ethylphenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 8907646
(2R)-2-[(4-fluorophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 9251723
(2S)-2-[acetyl(methyl)amino]-N-(methylcarbamoyl)propanamide
CID 122467125
2-[(3-aminophenyl)methyl-methylamino]-N-(methylcarbamoyl)propanamide
CID 43458016

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The IUPAC name of 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid (CID 60987240) is 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid.
What is the SMILES notation for 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The canonical SMILES for 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid is CNC(=O)NC(=O)C(C)N(C)CCC(=O)O.
What is the InChIKey of 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
The InChIKey is MUTLGWRGUFUNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O4/c1-6(8(15)11-9(16)10-2)12(3)5-4-7(13)14/h6H,4-5H2,1-3H3,(H,13,14)(H2,10,11,15,16).
What are the key properties of 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid?
3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid has a molecular weight of 231.25 g/mol, XLogP of -0.76, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-[1-(methylcarbamoylamino)-1-oxopropan-2-yl]amino]propanoic acid is sourced from PubChem (CID 60987240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).