5-(carbamoylamino)-2-oxopentanoic acid

C6H10N2O4 — CID 13154348

IUPAC5-(carbamoylamino)-2-oxopentanoic acid
SMILESNC(=O)NCCCC(=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c7-6(12)8-3-1-2-4(9)5(10)11/h1-3H2,(H,10,11)(H3,7,8,12)
InChIKeyXDGFXMNZEHCIOU-UHFFFAOYSA-N
MW174.16 g/mol
LogP-0.91
Rot. Bonds5

About 5-(carbamoylamino)-2-oxopentanoic acid

5-(carbamoylamino)-2-oxopentanoic acid (PubChem CID 13154348) has the molecular formula C6H10N2O4 and a molecular weight of 174.16 g/mol. Its IUPAC name is 5-(carbamoylamino)-2-oxopentanoic acid.

Molecular Properties

Compound Name5-(carbamoylamino)-2-oxopentanoic acid
PubChem CID13154348
Molecular FormulaC6H10N2O4
Molecular Weight174.16 g/mol
Exact Mass174.06
IUPAC Name5-(carbamoylamino)-2-oxopentanoic acid
SMILESNC(=O)NCCCC(=O)C(=O)O
InChIInChI=1S/C6H10N2O4/c7-6(12)8-3-1-2-4(9)5(10)11/h1-3H2,(H,10,11)(H3,7,8,12)
InChIKeyXDGFXMNZEHCIOU-UHFFFAOYSA-N
XLogP-0.91
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(5-chloro-4-oxopentyl)urea
CID 87337319
5-(carbamoylamino)pentanamide;hydrochloride
CID 175794567
3-chloropropylurea
CID 6421120
12-hydroxydodecylurea
CID 57265418
(5-imino-4-oxopentyl)urea
CID 90786358
4-(carbamoylamino)-N-cyclopropylbutanamide
CID 78907158
pentylurea;hydrate
CID 172845599
3-trifluorosilylpropylurea
CID 174136032
6-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxohexanoic acid
CID 91098300
2-(carbamoylamino)acetic acid
CID 87288569
5-hydroxy-2-oxopentanoic acid
CID 23572080
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546

Frequently Asked Questions

What is the IUPAC name of 5-(carbamoylamino)-2-oxopentanoic acid?
The IUPAC name of 5-(carbamoylamino)-2-oxopentanoic acid (CID 13154348) is 5-(carbamoylamino)-2-oxopentanoic acid.
What is the SMILES notation for 5-(carbamoylamino)-2-oxopentanoic acid?
The canonical SMILES for 5-(carbamoylamino)-2-oxopentanoic acid is NC(=O)NCCCC(=O)C(=O)O.
What is the InChIKey of 5-(carbamoylamino)-2-oxopentanoic acid?
The InChIKey is XDGFXMNZEHCIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O4/c7-6(12)8-3-1-2-4(9)5(10)11/h1-3H2,(H,10,11)(H3,7,8,12).
What are the key properties of 5-(carbamoylamino)-2-oxopentanoic acid?
5-(carbamoylamino)-2-oxopentanoic acid has a molecular weight of 174.16 g/mol, XLogP of -0.91, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(carbamoylamino)-2-oxopentanoic acid is sourced from PubChem (CID 13154348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).