4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid

C11H21N3O3 — CID 61198226

IUPAC4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-14-7-4-9(5-8-14)13-11(17)12-6-2-3-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyVJXJHNZVWVPRCN-UHFFFAOYSA-N
MW243.31 g/mol
LogP0.24
Rot. Bonds5

About 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid

4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid (PubChem CID 61198226) has the molecular formula C11H21N3O3 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
PubChem CID61198226
Molecular FormulaC11H21N3O3
Molecular Weight243.31 g/mol
Exact Mass243.16
IUPAC Name4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid
SMILESCN1CCC(NC(=O)NCCCC(=O)O)CC1
InChIInChI=1S/C11H21N3O3/c1-14-7-4-9(5-8-14)13-11(17)12-6-2-3-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17)
InChIKeyVJXJHNZVWVPRCN-UHFFFAOYSA-N
XLogP0.24
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 50.24
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

6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54950039
12-[(1-acetylpiperidin-4-yl)carbamoylamino]dodecanoic acid
CID 148925401
1-(2-hydroxyethyl)-3-(1-methylpiperidin-4-yl)urea
CID 117234476
7-[(1-methylpiperidin-3-yl)carbamoylamino]heptanoic acid
CID 61223092
4-[(1-methyl-6-oxopiperidin-3-yl)carbamoylamino]butanoic acid
CID 64670248
6-(cyclooctylcarbamoylamino)hexanoic acid
CID 61181259
1-(1-methylpiperidin-4-yl)-3-(2-phenylethyl)urea
CID 11499904
4,4-dimethyl-6-[(1-methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 65287791
2-[(1-methylpiperidin-4-yl)carbamoylamino]pentanedioic acid
CID 61198418
4-[(3-fluorocyclopentyl)carbamoylamino]butanoic acid
CID 122014337
(2S)-2-hydroxy-3-[(1-methylpiperidin-4-yl)carbamoylamino]propanoic acid
CID 107838389
1-(1-methylpiperidin-4-yl)-3-prop-2-enylurea
CID 110865945

Frequently Asked Questions

What is the IUPAC name of 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
The IUPAC name of 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid (CID 61198226) is 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid is CN1CCC(NC(=O)NCCCC(=O)O)CC1.
What is the InChIKey of 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
The InChIKey is VJXJHNZVWVPRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O3/c1-14-7-4-9(5-8-14)13-11(17)12-6-2-3-10(15)16/h9H,2-8H2,1H3,(H,15,16)(H2,12,13,17).
What are the key properties of 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid?
4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid has a molecular weight of 243.31 g/mol, XLogP of 0.24, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-methylpiperidin-4-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 61198226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).