1-amino-3-(2-oxopentyl)urea

C6H13N3O2 — CID 140976918

IUPAC1-amino-3-(2-oxopentyl)urea
SMILESCCCC(=O)CNC(=O)NN
InChIInChI=1S/C6H13N3O2/c1-2-3-5(10)4-8-6(11)9-7/h2-4,7H2,1H3,(H2,8,9,11)
InChIKeyKWNIDDDDQGBAAP-UHFFFAOYSA-N
MW159.19 g/mol
LogP-0.47
Rot. Bonds4

About 1-amino-3-(2-oxopentyl)urea

1-amino-3-(2-oxopentyl)urea (PubChem CID 140976918) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is 1-amino-3-(2-oxopentyl)urea.

Molecular Properties

Compound Name1-amino-3-(2-oxopentyl)urea
PubChem CID140976918
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Name1-amino-3-(2-oxopentyl)urea
SMILESCCCC(=O)CNC(=O)NN
InChIInChI=1S/C6H13N3O2/c1-2-3-5(10)4-8-6(11)9-7/h2-4,7H2,1H3,(H2,8,9,11)
InChIKeyKWNIDDDDQGBAAP-UHFFFAOYSA-N
XLogP-0.47
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-oxopentyl)formamide
CID 57147830
2-(hydrazinecarbonylamino)-N-propan-2-ylacetamide;hydrochloride
CID 146675439
1-(2-methylpropylamino)pentan-2-one
CID 58806853
heptane-2,4-dione;palladium(2+)
CID 21417766
heptane-3,5-dione;bis(hexan-3-one)
CID 161435839
N-ethyl-3-oxohexanamide
CID 88638325
CID 158833027
CID 158833027
N'-[(4-aminophenyl)methyl]-N-(2-oxopentyl)ethanimidamide
CID 123910862
bis(heptane-2,4-dione);platinum
CID 158167242
bis(3-oxohexanoic acid);silane
CID 175228530
1-amino-3-[(propan-2-ylideneamino)oxymethyl]urea
CID 45122753
2,4-dioxoheptanoic acid
CID 23169167

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(2-oxopentyl)urea?
The IUPAC name of 1-amino-3-(2-oxopentyl)urea (CID 140976918) is 1-amino-3-(2-oxopentyl)urea.
What is the SMILES notation for 1-amino-3-(2-oxopentyl)urea?
The canonical SMILES for 1-amino-3-(2-oxopentyl)urea is CCCC(=O)CNC(=O)NN.
What is the InChIKey of 1-amino-3-(2-oxopentyl)urea?
The InChIKey is KWNIDDDDQGBAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O2/c1-2-3-5(10)4-8-6(11)9-7/h2-4,7H2,1H3,(H2,8,9,11).
What are the key properties of 1-amino-3-(2-oxopentyl)urea?
1-amino-3-(2-oxopentyl)urea has a molecular weight of 159.19 g/mol, XLogP of -0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(2-oxopentyl)urea is sourced from PubChem (CID 140976918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).