[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea

C6H12N4O2 — CID 90989308

IUPAC[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea
SMILESCC(=O)C[C@H](N)/C=N\NC(N)=O
InChIInChI=1S/C6H12N4O2/c1-4(11)2-5(7)3-9-10-6(8)12/h3,5H,2,7H2,1H3,(H3,8,10,12)/b9-3-/t5-/m0/s1
InChIKeyKVLUKNNGCAPRJH-OCSNJMNKSA-N
MW172.19 g/mol
LogP-1.05
Rot. Bonds4

About [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea

[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea (PubChem CID 90989308) has the molecular formula C6H12N4O2 and a molecular weight of 172.19 g/mol. Its IUPAC name is [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea.

Molecular Properties

Compound Name[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea
PubChem CID90989308
Molecular FormulaC6H12N4O2
Molecular Weight172.19 g/mol
Exact Mass172.10
IUPAC Name[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea
SMILESCC(=O)C[C@H](N)/C=N\NC(N)=O
InChIInChI=1S/C6H12N4O2/c1-4(11)2-5(7)3-9-10-6(8)12/h3,5H,2,7H2,1H3,(H3,8,10,12)/b9-3-/t5-/m0/s1
InChIKeyKVLUKNNGCAPRJH-OCSNJMNKSA-N
XLogP-1.05
TPSA110.57 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea?
The IUPAC name of [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea (CID 90989308) is [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea.
What is the SMILES notation for [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea?
The canonical SMILES for [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea is CC(=O)C[C@H](N)/C=N\NC(N)=O.
What is the InChIKey of [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea?
The InChIKey is KVLUKNNGCAPRJH-OCSNJMNKSA-N. The full InChI is InChI=1S/C6H12N4O2/c1-4(11)2-5(7)3-9-10-6(8)12/h3,5H,2,7H2,1H3,(H3,8,10,12)/b9-3-/t5-/m0/s1.
What are the key properties of [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea?
[(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea has a molecular weight of 172.19 g/mol, XLogP of -1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-[(2S)-2-amino-4-oxopentylidene]amino]urea is sourced from PubChem (CID 90989308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).