1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid

C12H20N2O4 — CID 82762632

IUPAC1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)C1COCCN1
InChIInChI=1S/C12H20N2O4/c1-12(11(16)17)4-2-3-9(12)14-10(15)8-7-18-6-5-13-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyZQZLAXRBKHARJJ-UHFFFAOYSA-N
MW256.30 g/mol
LogP-0.27
Rot. Bonds3

About 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid

1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid (PubChem CID 82762632) has the molecular formula C12H20N2O4 and a molecular weight of 256.30 g/mol. Its IUPAC name is 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
PubChem CID82762632
Molecular FormulaC12H20N2O4
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid
SMILESCC1(C(=O)O)CCCC1NC(=O)C1COCCN1
InChIInChI=1S/C12H20N2O4/c1-12(11(16)17)4-2-3-9(12)14-10(15)8-7-18-6-5-13-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17)
InChIKeyZQZLAXRBKHARJJ-UHFFFAOYSA-N
XLogP-0.27
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-(oxolane-3-carbonylamino)cyclopentane-1-carboxylic acid
CID 82760447
1-methyl-2-[[(3S)-piperidine-3-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 82762406
N-cycloheptylmorpholine-3-carboxamide;hydrochloride
CID 119674644
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
N-(2-methylcyclohexyl)morpholine-3-carboxamide;hydrochloride
CID 119676476
1-[(morpholine-3-carbonylamino)methyl]cyclobutane-1-carboxylic acid
CID 113311232
N-[(1R,2R)-2-hydroxycyclohexyl]morpholine-3-carboxamide
CID 107222110
2-[(2,2-dimethylcyclohexanecarbonyl)amino]-1-methylcyclopentane-1-carboxylic acid
CID 107175872
2-[[(2S)-2,3-dihydro-1H-indole-2-carbonyl]amino]-1-methylcyclopentane-1-carboxylic acid
CID 82763842
1-methyl-2-[[methyl(oxan-3-ylmethyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 82764929
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-1-methylcyclohexane-1-carboxylic acid
CID 83214667
1-methyl-2-[(2-methyloxolane-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 83214275

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid (CID 82762632) is 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid is CC1(C(=O)O)CCCC1NC(=O)C1COCCN1.
What is the InChIKey of 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid?
The InChIKey is ZQZLAXRBKHARJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O4/c1-12(11(16)17)4-2-3-9(12)14-10(15)8-7-18-6-5-13-8/h8-9,13H,2-7H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid?
1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid has a molecular weight of 256.30 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-(morpholine-3-carbonylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82762632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).