3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid

C6H11N3O4 — CID 14949739

IUPAC3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
SMILESNC(=O)CNC(=O)NCCC(=O)O
InChIInChI=1S/C6H11N3O4/c7-4(10)3-9-6(13)8-2-1-5(11)12/h1-3H2,(H2,7,10)(H,11,12)(H2,8,9,13)
InChIKeyDYBMGBOKXUSHED-UHFFFAOYSA-N
MW189.17 g/mol
LogP-1.75
Rot. Bonds5

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

3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid (PubChem CID 14949739) has the molecular formula C6H11N3O4 and a molecular weight of 189.17 g/mol. Its IUPAC name is 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid.

Molecular Properties

Compound Name3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
PubChem CID14949739
Molecular FormulaC6H11N3O4
Molecular Weight189.17 g/mol
Exact Mass189.07
IUPAC Name3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid
SMILESNC(=O)CNC(=O)NCCC(=O)O
InChIInChI=1S/C6H11N3O4/c7-4(10)3-9-6(13)8-2-1-5(11)12/h1-3H2,(H2,7,10)(H,11,12)(H2,8,9,13)
InChIKeyDYBMGBOKXUSHED-UHFFFAOYSA-N
XLogP-1.75
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(3-amino-3-oxopropyl)carbamoylamino]butanoic acid
CID 61202832
3-[(2-ethoxy-2-oxoethyl)carbamoylamino]propanoic acid
CID 14949744
5-[(2-amino-2-oxoethyl)carbamoylamino]-5-oxopentanoic acid
CID 28931731
(2S)-4-[(2-amino-2-oxoethyl)carbamoylamino]-2-hydroxybutanoic acid
CID 107837805
3-[(4-amino-2-methyl-4-oxobutan-2-yl)carbamoylamino]propanoic acid
CID 106097819
2-[[2-[(5-amino-5-oxopentyl)carbamoylamino]acetyl]amino]acetic acid
CID 114162453
3-(3,3,3-trifluoropropylcarbamoylamino)propanoic acid
CID 63227638
4-[[2-[[2-[(2-amino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]butanoic acid
CID 86108729
N-(2-amino-2-oxoethyl)-3-(tert-butylcarbamoylamino)propanamide
CID 141056869
3-[(2-amino-2-oxoethyl)amino]-3-oxopropanoic acid
CID 62230553
4-[(2-amino-2-oxoethyl)carbamoylamino]-3-hydroxy-3-methylbutanoic acid
CID 66003778
2-[(2-amino-2-oxoethyl)amino]acetic acid
CID 87871803

Frequently Asked Questions

What is the IUPAC name of 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
The IUPAC name of 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid (CID 14949739) is 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid.
What is the SMILES notation for 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
The canonical SMILES for 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid is NC(=O)CNC(=O)NCCC(=O)O.
What is the InChIKey of 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
The InChIKey is DYBMGBOKXUSHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O4/c7-4(10)3-9-6(13)8-2-1-5(11)12/h1-3H2,(H2,7,10)(H,11,12)(H2,8,9,13).
What are the key properties of 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid?
3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid has a molecular weight of 189.17 g/mol, XLogP of -1.75, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-amino-2-oxoethyl)carbamoylamino]propanoic acid is sourced from PubChem (CID 14949739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).