2-(1-carboxyethylcarbamoylamino)propanoic acid

C7H12N2O5 — CID 14332788

IUPAC2-(1-carboxyethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC(C)C(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-3(5(10)11)8-7(14)9-4(2)6(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)(H2,8,9,14)
InChIKeyUYJGDYBJLDDJIJ-UHFFFAOYSA-N
MW204.18 g/mol
LogP-0.77
Rot. Bonds4

About 2-(1-carboxyethylcarbamoylamino)propanoic acid

2-(1-carboxyethylcarbamoylamino)propanoic acid (PubChem CID 14332788) has the molecular formula C7H12N2O5 and a molecular weight of 204.18 g/mol. Its IUPAC name is 2-(1-carboxyethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(1-carboxyethylcarbamoylamino)propanoic acid
PubChem CID14332788
Molecular FormulaC7H12N2O5
Molecular Weight204.18 g/mol
Exact Mass204.07
IUPAC Name2-(1-carboxyethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NC(C)C(=O)O)C(=O)O
InChIInChI=1S/C7H12N2O5/c1-3(5(10)11)8-7(14)9-4(2)6(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)(H2,8,9,14)
InChIKeyUYJGDYBJLDDJIJ-UHFFFAOYSA-N
XLogP-0.77
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.18
LogP ≤ 5-0.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[2-[[(1R)-1-carboxyethyl]carbamoylamino]ethylcarbamoylamino]propanoic acid
CID 11966085
(2R)-2-(4-methylpentan-2-ylcarbamoylamino)propanoic acid
CID 78972526
2-(2-methylpentan-3-ylcarbamoylamino)propanoic acid
CID 61470917
2-(dicyclopropylmethylcarbamoylamino)propanoic acid
CID 61480782
(2S)-2-[[(1S)-1-carboxyethyl]carbamoylamino]-4-methylpentanedioic acid
CID 167021445
(2S)-2-(acetyl(15N)amino)propanoic acid
CID 102175488
2-(ethenylcarbamoylamino)propanoic acid
CID 108909097
(2S)-2-[(1-methylcyclopropyl)carbamoylamino]propanoic acid
CID 104865758
(2S)-2-(3-oxobutanoylamino)propanoic acid
CID 40571624
(2R)-2-(pent-1-yn-3-ylcarbamoylamino)propanoic acid
CID 106232347
(2S)-2-[(1-methoxy-3-methylbutan-2-yl)carbamoylamino]propanoic acid
CID 65048182
(2S)-2-(2-aminoethylcarbamoylamino)propanoic acid
CID 61403135

Frequently Asked Questions

What is the IUPAC name of 2-(1-carboxyethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(1-carboxyethylcarbamoylamino)propanoic acid (CID 14332788) is 2-(1-carboxyethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(1-carboxyethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(1-carboxyethylcarbamoylamino)propanoic acid is CC(NC(=O)NC(C)C(=O)O)C(=O)O.
What is the InChIKey of 2-(1-carboxyethylcarbamoylamino)propanoic acid?
The InChIKey is UYJGDYBJLDDJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O5/c1-3(5(10)11)8-7(14)9-4(2)6(12)13/h3-4H,1-2H3,(H,10,11)(H,12,13)(H2,8,9,14).
What are the key properties of 2-(1-carboxyethylcarbamoylamino)propanoic acid?
2-(1-carboxyethylcarbamoylamino)propanoic acid has a molecular weight of 204.18 g/mol, XLogP of -0.77, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-carboxyethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 14332788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).