1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea

C7H16N6O3 — CID 174870360

IUPAC1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
SMILESNC(=O)N(N)CCC(=O)CCN(N)C(N)=O
InChIInChI=1S/C7H16N6O3/c8-6(15)12(10)3-1-5(14)2-4-13(11)7(9)16/h1-4,10-11H2,(H2,8,15)(H2,9,16)
InChIKeyKQPDUDQWWQCHRV-UHFFFAOYSA-N
MW232.24 g/mol
LogP-2.16
Rot. Bonds6

About 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea

1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea (PubChem CID 174870360) has the molecular formula C7H16N6O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea.

Molecular Properties

Compound Name1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
PubChem CID174870360
Molecular FormulaC7H16N6O3
Molecular Weight232.24 g/mol
Exact Mass232.13
IUPAC Name1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea
SMILESNC(=O)N(N)CCC(=O)CCN(N)C(N)=O
InChIInChI=1S/C7H16N6O3/c8-6(15)12(10)3-1-5(14)2-4-13(11)7(9)16/h1-4,10-11H2,(H2,8,15)(H2,9,16)
InChIKeyKQPDUDQWWQCHRV-UHFFFAOYSA-N
XLogP-2.16
TPSA161.77 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 5-2.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea?
The IUPAC name of 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea (CID 174870360) is 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea.
What is the SMILES notation for 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea?
The canonical SMILES for 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea is NC(=O)N(N)CCC(=O)CCN(N)C(N)=O.
What is the InChIKey of 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea?
The InChIKey is KQPDUDQWWQCHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16N6O3/c8-6(15)12(10)3-1-5(14)2-4-13(11)7(9)16/h1-4,10-11H2,(H2,8,15)(H2,9,16).
What are the key properties of 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea?
1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea has a molecular weight of 232.24 g/mol, XLogP of -2.16, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-1-[5-[amino(carbamoyl)amino]-3-oxopentyl]urea is sourced from PubChem (CID 174870360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).