4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid

C14H27N3O3 — CID 61183703

IUPAC4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
SMILESCC1CCCCN1CCCNC(=O)NCCCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-12-6-2-3-10-17(12)11-5-9-16-14(20)15-8-4-7-13(18)19/h12H,2-11H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyVCWYFNKYPQJCEB-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.41
Rot. Bonds8

About 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid

4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid (PubChem CID 61183703) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid.

Molecular Properties

Compound Name4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
PubChem CID61183703
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
SMILESCC1CCCCN1CCCNC(=O)NCCCC(=O)O
InChIInChI=1S/C14H27N3O3/c1-12-6-2-3-10-17(12)11-5-9-16-14(20)15-8-4-7-13(18)19/h12H,2-11H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyVCWYFNKYPQJCEB-UHFFFAOYSA-N
XLogP1.41
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.41
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

3-methyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid
CID 64701409
4-amino-5-[3-(2-methylpiperidin-1-yl)propylamino]-5-oxopentanoic acid
CID 64894440
2,2-dimethyl-3-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 115428307
2-methyl-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 61265357
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]propanoic acid
CID 54991499
2-[[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]methyl]butanoic acid
CID 65219331
N-[3-(2-methylpiperidin-1-yl)propyl]cyclopropanecarboxamide
CID 60668524
6-[(2R)-2-methylpyrrolidin-1-yl]hexanoic acid
CID 174674444
4-(cyclohexylcarbamoylamino)-N-[4-(2-methylpiperidin-1-yl)butyl]butanamide
CID 60516245
(2R)-2-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]pentanoic acid
CID 107565964
(2R)-2-amino-4-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]pentanamide
CID 104902575
1-[3-(2-methylpiperidin-1-yl)propylcarbamoyl]cyclobutane-1-carboxylic acid
CID 62097465

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid?
The IUPAC name of 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid (CID 61183703) is 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid.
What is the SMILES notation for 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid?
The canonical SMILES for 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid is CC1CCCCN1CCCNC(=O)NCCCC(=O)O.
What is the InChIKey of 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid?
The InChIKey is VCWYFNKYPQJCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-12-6-2-3-10-17(12)11-5-9-16-14(20)15-8-4-7-13(18)19/h12H,2-11H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid?
4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.41, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]butanoic acid is sourced from PubChem (CID 61183703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).