4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid

C11H19N3O4 — CID 64670248

IUPAC4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CC(NC(=O)NCCCC(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O4/c1-14-7-8(4-5-9(14)15)13-11(18)12-6-2-3-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyJXDYMGIXIPVCKP-UHFFFAOYSA-N
MW257.29 g/mol
LogP-0.23
Rot. Bonds5

About 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid

4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid (PubChem CID 64670248) has the molecular formula C11H19N3O4 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
PubChem CID64670248
Molecular FormulaC11H19N3O4
Molecular Weight257.29 g/mol
Exact Mass257.14
IUPAC Name4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
SMILESCN1CC(NC(=O)NCCCC(=O)O)CCC1=O
InChIInChI=1S/C11H19N3O4/c1-14-7-8(4-5-9(14)15)13-11(18)12-6-2-3-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18)
InChIKeyJXDYMGIXIPVCKP-UHFFFAOYSA-N
XLogP-0.23
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 5-0.23
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

5-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]pentanoic acid
CID 64667845
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
(2S)-2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007572
2-hydroxy-4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 114007571
2-methyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 64669836
1-[4-(5-chlorothiophen-2-yl)butyl]-3-[(3R)-1-methyl-6-oxopiperidin-3-yl]urea
CID 124843699
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
CID 61198226
3-methyl-2-[[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]methyl]butanoic acid
CID 65224311
6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
3-cyclopropyl-3-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]propanoic acid
CID 82003067

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid (CID 64670248) is 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid is CN1CC(NC(=O)NCCCC(=O)O)CCC1=O.
What is the InChIKey of 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
The InChIKey is JXDYMGIXIPVCKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4/c1-14-7-8(4-5-9(14)15)13-11(18)12-6-2-3-10(16)17/h8H,2-7H2,1H3,(H,16,17)(H2,12,13,18).
What are the key properties of 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid?
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid has a molecular weight of 257.29 g/mol, XLogP of -0.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 64670248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).