3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 66030812

IUPAC3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H20N2O4/c1-8-7-14(4-5-18-8)12(17)13-10-3-2-9(6-10)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyCDHKMVNUIZNTPV-UHFFFAOYSA-N
MW256.30 g/mol
LogP0.67
Rot. Bonds2

About 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid

3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (PubChem CID 66030812) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
PubChem CID66030812
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
SMILESCC1CN(C(=O)NC2CCC(C(=O)O)C2)CCO1
InChIInChI=1S/C12H20N2O4/c1-8-7-14(4-5-18-8)12(17)13-10-3-2-9(6-10)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyCDHKMVNUIZNTPV-UHFFFAOYSA-N
XLogP0.67
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

cis-(1R,3S)-3-[(2-methyl-1,4-oxazepane-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 114172994
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
4-[[(2-methylmorpholine-4-carbonyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79525234
cis-(1R,3S)-3-[(4-hydroxy-3-methylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106320203
(2R)-2-methyl-N-(1-methylsulfonylpiperidin-4-yl)morpholine-4-carboxamide
CID 94030377
cis-(1R,3S)-3-[(2,2,6-trimethylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106319617
4-[[2-(hydroxymethyl)morpholine-4-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 81204653
cis-(1R,3S)-3-(azocane-1-carbonylamino)cyclopentane-1-carboxylic acid
CID 106324241
3-[(3-hydroxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66033013
1-(2-methylmorpholine-4-carbonyl)piperidine-4-carboxylic acid
CID 43135712
(2S)-2-methyl-N-propan-2-ylmorpholine-4-carboxamide
CID 167135155
3-[[3-(methylcarbamoyl)piperidine-1-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 103197211

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid (CID 66030812) is 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is CC1CN(C(=O)NC2CCC(C(=O)O)C2)CCO1.
What is the InChIKey of 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
The InChIKey is CDHKMVNUIZNTPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-8-7-14(4-5-18-8)12(17)13-10-3-2-9(6-10)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid?
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of 0.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 66030812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).