(4-amino-5-oxohexyl)urea;ethane

C9H21N3O2 — CID 145237808

IUPAC(4-amino-5-oxohexyl)urea;ethane
SMILESCC.CC(=O)C(N)CCCNC(N)=O
InChIInChI=1S/C7H15N3O2.C2H6/c1-5(11)6(8)3-2-4-10-7(9)12;1-2/h6H,2-4,8H2,1H3,(H3,9,10,12);1-2H3
InChIKeyVRAJUPLIAUUXJM-UHFFFAOYSA-N
MW203.29 g/mol
LogP0.38
Rot. Bonds5

About (4-amino-5-oxohexyl)urea;ethane

(4-amino-5-oxohexyl)urea;ethane (PubChem CID 145237808) has the molecular formula C9H21N3O2 and a molecular weight of 203.29 g/mol. Its IUPAC name is (4-amino-5-oxohexyl)urea;ethane.

Molecular Properties

Compound Name(4-amino-5-oxohexyl)urea;ethane
PubChem CID145237808
Molecular FormulaC9H21N3O2
Molecular Weight203.29 g/mol
Exact Mass203.16
IUPAC Name(4-amino-5-oxohexyl)urea;ethane
SMILESCC.CC(=O)C(N)CCCNC(N)=O
InChIInChI=1S/C7H15N3O2.C2H6/c1-5(11)6(8)3-2-4-10-7(9)12;1-2/h6H,2-4,8H2,1H3,(H3,9,10,12);1-2H3
InChIKeyVRAJUPLIAUUXJM-UHFFFAOYSA-N
XLogP0.38
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 50.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

bis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);zinc
CID 166523784
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;hydrochloride
CID 72941546
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
ethyl 2-amino-5-(carbamoylamino)pentanoate;hydrochloride
CID 74933713
(3S,8S)-3,8-diaminodecane-2,9-dione
CID 155082610
potassium;[(2S)-2-amino-5-(carbamoylamino)pentanoyl] (2S)-2-amino-5-(carbamoylamino)pentanoate;hydride
CID 174823940
3-amino-6-(hydrazinylmethylamino)hexan-2-one
CID 155176532
(2S)-2-amino-5-(carbamoylamino)pentanoic acid;3-hydroxybutanoic acid
CID 90459681
(2S)-2-amino-N-(2-amino-2-oxoethyl)-5-(carbamoylamino)pentanamide
CID 18609889
2-amino-6-(carbamoylamino)-N-methylhexanamide
CID 137464971
2-amino-5-(carbamoylamino)pentanoic acid;2-amino-3-phenylpropanoic acid
CID 23208419
calcium;bis((2S)-2-amino-5-(carbamoylamino)pentanoate);tetrakis((2S)-2-amino-5-(carbamoylamino)pentanoic acid);titanium
CID 169088109

Frequently Asked Questions

What is the IUPAC name of (4-amino-5-oxohexyl)urea;ethane?
The IUPAC name of (4-amino-5-oxohexyl)urea;ethane (CID 145237808) is (4-amino-5-oxohexyl)urea;ethane.
What is the SMILES notation for (4-amino-5-oxohexyl)urea;ethane?
The canonical SMILES for (4-amino-5-oxohexyl)urea;ethane is CC.CC(=O)C(N)CCCNC(N)=O.
What is the InChIKey of (4-amino-5-oxohexyl)urea;ethane?
The InChIKey is VRAJUPLIAUUXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2.C2H6/c1-5(11)6(8)3-2-4-10-7(9)12;1-2/h6H,2-4,8H2,1H3,(H3,9,10,12);1-2H3.
What are the key properties of (4-amino-5-oxohexyl)urea;ethane?
(4-amino-5-oxohexyl)urea;ethane has a molecular weight of 203.29 g/mol, XLogP of 0.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-5-oxohexyl)urea;ethane is sourced from PubChem (CID 145237808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).