2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

C14H24N2O4 — CID 81116282

IUPAC2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)NCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(20)5-7-16(8-6-14)13(19)15-9-10-3-2-4-11(10)12(17)18/h10-11,20H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyVAMBFKBSRPEEHF-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.04
Rot. Bonds3

About 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid

2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (PubChem CID 81116282) has the molecular formula C14H24N2O4 and a molecular weight of 284.36 g/mol. Its IUPAC name is 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
PubChem CID81116282
Molecular FormulaC14H24N2O4
Molecular Weight284.36 g/mol
Exact Mass284.17
IUPAC Name2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
SMILESCC1(O)CCN(C(=O)NCC2CCCC2C(=O)O)CC1
InChIInChI=1S/C14H24N2O4/c1-14(20)5-7-16(8-6-14)13(19)15-9-10-3-2-4-11(10)12(17)18/h10-11,20H,2-9H2,1H3,(H,15,19)(H,17,18)
InChIKeyVAMBFKBSRPEEHF-UHFFFAOYSA-N
XLogP1.04
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(4-hydroxy-4-methylazepane-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107405688
2-[[(3,4-dimethylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 79181775
2-[[(2,2,3,3-tetramethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 66477997
2-[[(2,2-dimethylcyclopropanecarbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 107000450
2-[[[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 81463935
2-[[(3,5-dioxopiperazine-1-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 66062412
2-[[[3-(2-hydroxyethyl)piperidine-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 107228315
(2S)-2-hydroxy-3-[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]propanoic acid
CID 107840590
2-[[(2-ethyl-5-methylpyrrolidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 83220052
2-[[[2-(hydroxymethyl)azepane-1-carbonyl]amino]methyl]cyclopentane-1-carboxylic acid
CID 116635555
3-ethyl-1-[(2-methylcyclohexyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 63147259
trans-(1R,2S)-2-(formamidomethyl)cyclopentane-1-carboxylic acid
CID 130649468

Frequently Asked Questions

What is the IUPAC name of 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid (CID 81116282) is 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is CC1(O)CCN(C(=O)NCC2CCCC2C(=O)O)CC1.
What is the InChIKey of 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is VAMBFKBSRPEEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4/c1-14(20)5-7-16(8-6-14)13(19)15-9-10-3-2-4-11(10)12(17)18/h10-11,20H,2-9H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid?
2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 284.36 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(4-hydroxy-4-methylpiperidine-1-carbonyl)amino]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81116282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).