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

C14H27N3O3 — CID 81069420

IUPAC3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
SMILESCCCN1CCC(NC(=O)NCC(C)CC(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-3-6-17-7-4-12(5-8-17)16-14(20)15-10-11(2)9-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyXSGDGJCFKCUGRN-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.27
Rot. Bonds7

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

3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid (PubChem CID 81069420) has the molecular formula C14H27N3O3 and a molecular weight of 285.39 g/mol. Its IUPAC name is 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid.

Molecular Properties

Compound Name3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
PubChem CID81069420
Molecular FormulaC14H27N3O3
Molecular Weight285.39 g/mol
Exact Mass285.21
IUPAC Name3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid
SMILESCCCN1CCC(NC(=O)NCC(C)CC(=O)O)CC1
InChIInChI=1S/C14H27N3O3/c1-3-6-17-7-4-12(5-8-17)16-14(20)15-10-11(2)9-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20)
InChIKeyXSGDGJCFKCUGRN-UHFFFAOYSA-N
XLogP1.27
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-ethylcyclohexyl)carbamoylamino]-3-methylbutanoic acid
CID 81069634
4-[(1-cyclopropylpyrrolidin-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 81069360
4-[[4-(hydroxymethyl)cyclohexyl]carbamoylamino]-3-methylbutanoic acid
CID 112753148
2-cyclopropyl-2-[(1-propylpiperidin-4-yl)carbamoylamino]acetic acid
CID 62710878
1-(2-hydroxy-2,3-dimethylpentyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508128
1-(2-ethyl-2-hydroxybutyl)-3-(1-propylpiperidin-4-yl)urea
CID 111508133
1-(1-hydroxy-4-methylpentan-3-yl)-3-(1-propylpiperidin-4-yl)urea
CID 111508109
5-[(1-ethylpiperidin-4-yl)amino]-3-methyl-5-oxopentanoic acid
CID 62963713
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
3-methyl-4-(2-piperidin-1-ylethylcarbamoylamino)butanoic acid
CID 81069421
4-[[3-(cyclopropylamino)-3-oxopropyl]carbamoylamino]-3-methylbutanoic acid
CID 81070679

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid?
The IUPAC name of 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid (CID 81069420) is 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid.
What is the SMILES notation for 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid?
The canonical SMILES for 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid is CCCN1CCC(NC(=O)NCC(C)CC(=O)O)CC1.
What is the InChIKey of 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid?
The InChIKey is XSGDGJCFKCUGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O3/c1-3-6-17-7-4-12(5-8-17)16-14(20)15-10-11(2)9-13(18)19/h11-12H,3-10H2,1-2H3,(H,18,19)(H2,15,16,20).
What are the key properties of 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid?
3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid has a molecular weight of 285.39 g/mol, XLogP of 1.27, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[(1-propylpiperidin-4-yl)carbamoylamino]butanoic acid is sourced from PubChem (CID 81069420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).