[4-(methylamino)-5-oxopentyl]urea

C7H15N3O2 — CID 123241233

IUPAC[4-(methylamino)-5-oxopentyl]urea
SMILESCNC(C=O)CCCNC(N)=O
InChIInChI=1S/C7H15N3O2/c1-9-6(5-11)3-2-4-10-7(8)12/h5-6,9H,2-4H2,1H3,(H3,8,10,12)
InChIKeyMYFBBVXBJMYDPQ-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.78
Rot. Bonds6

About [4-(methylamino)-5-oxopentyl]urea

[4-(methylamino)-5-oxopentyl]urea (PubChem CID 123241233) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is [4-(methylamino)-5-oxopentyl]urea.

Molecular Properties

Compound Name[4-(methylamino)-5-oxopentyl]urea
PubChem CID123241233
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name[4-(methylamino)-5-oxopentyl]urea
SMILESCNC(C=O)CCCNC(N)=O
InChIInChI=1S/C7H15N3O2/c1-9-6(5-11)3-2-4-10-7(8)12/h5-6,9H,2-4H2,1H3,(H3,8,10,12)
InChIKeyMYFBBVXBJMYDPQ-UHFFFAOYSA-N
XLogP-0.78
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-N-[(2S)-5-(carbamoylamino)-1-oxopentan-2-yl]-3-methyl-2-(methylamino)butanamide
CID 126596000
(2S)-N-[(2S)-5-(carbamoylamino)-1-oxopentan-2-yl]-2,3-dimethylbutanamide
CID 157326480
5-(carbamoylamino)-2-(methylamino)pentanethioic S-acid
CID 174639174
3-(15N)azanylpropanoic acid;carbane;N-[5-((113C)methylamino)-6-oxohexyl]acetamide
CID 158444178
1-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-3-[5-(methylamino)-6-oxohexyl]urea
CID 172563632
(2S)-5-(carbamoylamino)-2-methylpentanoic acid
CID 118974747
4-methylhexylurea
CID 59582725
(2S)-6-(carbamoylamino)-2-(methylamino)hexanoic acid
CID 87065655
(2R)-2-amino-5-(carbamoylamino)pentanamide
CID 129140717
(4-amino-5-oxohexyl)urea;ethane
CID 145237808
(2S)-5-(carbamoylamino)-2-(ethylamino)pentanoic acid
CID 22864128
[(4S)-4-amino-5-hydroxypentyl]urea
CID 122174122

Frequently Asked Questions

What is the IUPAC name of [4-(methylamino)-5-oxopentyl]urea?
The IUPAC name of [4-(methylamino)-5-oxopentyl]urea (CID 123241233) is [4-(methylamino)-5-oxopentyl]urea.
What is the SMILES notation for [4-(methylamino)-5-oxopentyl]urea?
The canonical SMILES for [4-(methylamino)-5-oxopentyl]urea is CNC(C=O)CCCNC(N)=O.
What is the InChIKey of [4-(methylamino)-5-oxopentyl]urea?
The InChIKey is MYFBBVXBJMYDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9-6(5-11)3-2-4-10-7(8)12/h5-6,9H,2-4H2,1H3,(H3,8,10,12).
What are the key properties of [4-(methylamino)-5-oxopentyl]urea?
[4-(methylamino)-5-oxopentyl]urea has a molecular weight of 173.22 g/mol, XLogP of -0.78, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methylamino)-5-oxopentyl]urea is sourced from PubChem (CID 123241233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).