5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

C12H21N3O4 — CID 64667845

IUPAC5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCN1CC(NC(=O)NCCCCC(=O)O)CCC1=O
InChIInChI=1S/C12H21N3O4/c1-15-8-9(5-6-10(15)16)14-12(19)13-7-3-2-4-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyJPHWRAABVFHRDF-UHFFFAOYSA-N
MW271.32 g/mol
LogP0.16
Rot. Bonds6

About 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid

5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (PubChem CID 64667845) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.

Molecular Properties

Compound Name5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
PubChem CID64667845
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
SMILESCN1CC(NC(=O)NCCCCC(=O)O)CCC1=O
InChIInChI=1S/C12H21N3O4/c1-15-8-9(5-6-10(15)16)14-12(19)13-7-3-2-4-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19)
InChIKeyJPHWRAABVFHRDF-UHFFFAOYSA-N
XLogP0.16
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 50.16
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

4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
2-methyl-5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 104686741
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-4-oxobutanoic acid
CID 64655943
2-[2-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]ethoxy]acetic acid
CID 79464236
2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
1-[4-(5-chlorothiophen-2-yl)butyl]-3-[(3R)-1-methyl-6-oxopiperidin-3-yl]urea
CID 124843699
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
1-(1-methyl-5-oxopyrrolidin-3-yl)-3-pentylurea
CID 56794755

Frequently Asked Questions

What is the IUPAC name of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The IUPAC name of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid (CID 64667845) is 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid.
What is the SMILES notation for 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The canonical SMILES for 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is CN1CC(NC(=O)NCCCCC(=O)O)CCC1=O.
What is the InChIKey of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
The InChIKey is JPHWRAABVFHRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-15-8-9(5-6-10(15)16)14-12(19)13-7-3-2-4-11(17)18/h9H,2-8H2,1H3,(H,17,18)(H2,13,14,19).
What are the key properties of 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid?
5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid has a molecular weight of 271.32 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid is sourced from PubChem (CID 64667845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).