2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

C13H21NO4 — CID 114113509

IUPAC2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(NC(=O)C2CCCC2C(=O)O)CCCOC1
InChIInChI=1S/C13H21NO4/c1-13(6-3-7-18-8-13)14-11(15)9-4-2-5-10(9)12(16)17/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGWXMACRLILDPLD-UHFFFAOYSA-N
MW255.31 g/mol
LogP1.17
Rot. Bonds3

About 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid

2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (PubChem CID 114113509) has the molecular formula C13H21NO4 and a molecular weight of 255.31 g/mol. Its IUPAC name is 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
PubChem CID114113509
Molecular FormulaC13H21NO4
Molecular Weight255.31 g/mol
Exact Mass255.15
IUPAC Name2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid
SMILESCC1(NC(=O)C2CCCC2C(=O)O)CCCOC1
InChIInChI=1S/C13H21NO4/c1-13(6-3-7-18-8-13)14-11(15)9-4-2-5-10(9)12(16)17/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17)
InChIKeyGWXMACRLILDPLD-UHFFFAOYSA-N
XLogP1.17
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-methyl-N-(3-methyloxan-3-yl)cyclohexane-1-carboxamide
CID 114114596
(3-methyloxan-3-yl)urea
CID 103895709
3-methyl-1-[(3-methyloxan-3-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 114114285
2-[[4-(hydroxymethyl)oxan-4-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 106296956
2-[(1,4-dimethylcyclohexyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 120975804
2,2,2-trifluoro-N-(3-methyloxan-3-yl)acetamide
CID 103899257
4-[(3-methyloxan-3-yl)carbamoyl]benzoic acid
CID 114114464
2-[cyclopropylmethyl-[(3-methyloxan-3-yl)carbamoyl]amino]acetic acid
CID 114114298
N-(3-methyloxan-3-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 103944930
(3R)-1-[(3-methyloxolan-3-yl)carbamoyl]piperidine-3-carboxylic acid
CID 104865261
trans-(1S,2S)-2-methyl-N-(1-methylcyclobutyl)cyclopropane-1-carboxamide
CID 130646724
2,2-dimethyl-3-[(3-methyloxan-3-yl)carbamoylamino]propanoic acid
CID 114114304

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid (CID 114113509) is 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is CC1(NC(=O)C2CCCC2C(=O)O)CCCOC1.
What is the InChIKey of 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
The InChIKey is GWXMACRLILDPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO4/c1-13(6-3-7-18-8-13)14-11(15)9-4-2-5-10(9)12(16)17/h9-10H,2-8H2,1H3,(H,14,15)(H,16,17).
What are the key properties of 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid?
2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid has a molecular weight of 255.31 g/mol, XLogP of 1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyloxan-3-yl)carbamoyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114113509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).