3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid

C7H13N3O4 — CID 61187828

IUPAC3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C7H13N3O4/c1-10(3-2-6(12)13)7(14)9-4-5(8)11/h2-4H2,1H3,(H2,8,11)(H,9,14)(H,12,13)
InChIKeyGVFLKXMGMDWNLA-UHFFFAOYSA-N
MW203.20 g/mol
LogP-1.41
Rot. Bonds5

About 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid

3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid (PubChem CID 61187828) has the molecular formula C7H13N3O4 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid
PubChem CID61187828
Molecular FormulaC7H13N3O4
Molecular Weight203.20 g/mol
Exact Mass203.09
IUPAC Name3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid
SMILESCN(CCC(=O)O)C(=O)NCC(N)=O
InChIInChI=1S/C7H13N3O4/c1-10(3-2-6(12)13)7(14)9-4-5(8)11/h2-4H2,1H3,(H2,8,11)(H,9,14)(H,12,13)
InChIKeyGVFLKXMGMDWNLA-UHFFFAOYSA-N
XLogP-1.41
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 5-1.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-tert-butylsulfanylethylcarbamoyl(methyl)amino]propanoic acid
CID 122000379
3-[(1-amino-1-oxopropan-2-yl)carbamoyl-methylamino]propanoic acid
CID 61202238
3-[[methyl(propyl)carbamoyl]amino]propanoic acid
CID 61195850
2-[[butyl(methyl)carbamoyl]amino]acetic acid
CID 28507820
3-[methyl(octylcarbamoyl)amino]propanoic acid
CID 115569264
2-[(4-amino-4-oxobutyl)carbamoyl-methylamino]acetic acid
CID 60862900
4-[[methyl(propyl)carbamoyl]amino]butanoic acid
CID 61195680
2-[[[2-(dimethylamino)-2-oxoethyl]-methylcarbamoyl]amino]acetic acid
CID 43445725
4-[methyl-[(2-oxo-2-pyrrolidin-1-ylethyl)carbamoyl]amino]butanoic acid
CID 113406371
4-[methyl(2-methylpropylcarbamoyl)amino]butanoic acid
CID 43151937
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949739
2-[(2-methoxy-2-oxoethyl)carbamoyl-methylamino]acetic acid
CID 43135721

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid (CID 61187828) is 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid is CN(CCC(=O)O)C(=O)NCC(N)=O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid?
The InChIKey is GVFLKXMGMDWNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O4/c1-10(3-2-6(12)13)7(14)9-4-5(8)11/h2-4H2,1H3,(H2,8,11)(H,9,14)(H,12,13).
What are the key properties of 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid?
3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid has a molecular weight of 203.20 g/mol, XLogP of -1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)carbamoyl-methylamino]propanoic acid is sourced from PubChem (CID 61187828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).