3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid

C8H15N3O4 — CID 61202238

IUPAC3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
SMILESCC(NC(=O)N(C)CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O4/c1-5(7(9)14)10-8(15)11(2)4-3-6(12)13/h5H,3-4H2,1-2H3,(H2,9,14)(H,10,15)(H,12,13)
InChIKeyJLFVJACRKKRVTP-UHFFFAOYSA-N
MW217.22 g/mol
LogP-1.02
Rot. Bonds5

About 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid

3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid (PubChem CID 61202238) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
PubChem CID61202238
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Name3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
SMILESCC(NC(=O)N(C)CCC(=O)O)C(N)=O
InChIInChI=1S/C8H15N3O4/c1-5(7(9)14)10-8(15)11(2)4-3-6(12)13/h5H,3-4H2,1-2H3,(H2,9,14)(H,10,15)(H,12,13)
InChIKeyJLFVJACRKKRVTP-UHFFFAOYSA-N
XLogP-1.02
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-1.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]carbamoyl-methylamino]propanoic acid
CID 103112618
4-[(1-amino-3-methyl-1-oxobutan-2-yl)carbamoyl-methylamino]butanoic acid
CID 106346533
3-[methyl(pentan-2-ylcarbamoyl)amino]propanoic acid
CID 61181867
3-[methyl-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]amino]propanoic acid
CID 113408721
3-[but-3-yn-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 114418466
3-[1-methoxypropan-2-ylcarbamoyl(methyl)amino]propanoic acid
CID 61181719
3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid
CID 61187828
3-[methyl(octan-2-ylcarbamoyl)amino]propanoic acid
CID 61478809
(2R)-2-[3-(dimethylamino)propanoylamino]propanamide;dihydrochloride
CID 87710787
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
3-[methyl-[(1,1,1-trifluoro-3-methylpentan-2-yl)carbamoyl]amino]propanoic acid
CID 122091656
4-[3,3-dimethylbutan-2-ylcarbamoyl(methyl)amino]butanoic acid
CID 104829242

Frequently Asked Questions

What is the IUPAC name of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid (CID 61202238) is 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid is CC(NC(=O)N(C)CCC(=O)O)C(N)=O.
What is the InChIKey of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid?
The InChIKey is JLFVJACRKKRVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-5(7(9)14)10-8(15)11(2)4-3-6(12)13/h5H,3-4H2,1-2H3,(H2,9,14)(H,10,15)(H,12,13).
What are the key properties of 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid?
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid has a molecular weight of 217.22 g/mol, XLogP of -1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 61202238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).