2-(carbamoylamino)butanedioic acid

C5H8N2O5 — CID 279

IUPAC2-(carbamoylamino)butanedioic acid
SMILESNC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
InChIKeyHLKXYZVTANABHZ-UHFFFAOYSA-N
MW176.13 g/mol
LogP-1.42
Rot. Bonds4

About 2-(carbamoylamino)butanedioic acid

2-(carbamoylamino)butanedioic acid (PubChem CID 279) has the molecular formula C5H8N2O5 and a molecular weight of 176.13 g/mol. Its IUPAC name is 2-(carbamoylamino)butanedioic acid.

Molecular Properties

Compound Name2-(carbamoylamino)butanedioic acid
PubChem CID279
Molecular FormulaC5H8N2O5
Molecular Weight176.13 g/mol
Exact Mass176.04
IUPAC Name2-(carbamoylamino)butanedioic acid
SMILESNC(=O)NC(CC(=O)O)C(=O)O
InChIInChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12)
InChIKeyHLKXYZVTANABHZ-UHFFFAOYSA-N
XLogP-1.42
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 5-1.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-Acetyl-L-Aspartic Acid
CID 65065
Nmda
CID 22880
N-carbamoylaspartic acid
CID 93072
N-Methylaspartic acid
CID 4376
Glycyl-L-aspartic acid
CID 97363
N-acetyl-DL-aspartic acid
CID 97508
N-formyl-L-aspartic acid
CID 88052
Glycyl-dl-aspartic acid
CID 273261
Ala-Asp
CID 99719
2-(carbamoylamino)butanoic Acid
CID 4095663
L-Ureidosuccinate
CID 5460257
N-Methyl-L-aspartic acid
CID 92982

Frequently Asked Questions

What is the IUPAC name of 2-(carbamoylamino)butanedioic acid?
The IUPAC name of 2-(carbamoylamino)butanedioic acid (CID 279) is 2-(carbamoylamino)butanedioic acid.
What is the SMILES notation for 2-(carbamoylamino)butanedioic acid?
The canonical SMILES for 2-(carbamoylamino)butanedioic acid is NC(=O)NC(CC(=O)O)C(=O)O.
What is the InChIKey of 2-(carbamoylamino)butanedioic acid?
The InChIKey is HLKXYZVTANABHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O5/c6-5(12)7-2(4(10)11)1-3(8)9/h2H,1H2,(H,8,9)(H,10,11)(H3,6,7,12).
What are the key properties of 2-(carbamoylamino)butanedioic acid?
2-(carbamoylamino)butanedioic acid has a molecular weight of 176.13 g/mol, XLogP of -1.42, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carbamoylamino)butanedioic acid is sourced from PubChem (CID 279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).