4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid

C12H20N2O5 — CID 114118255

IUPAC4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCOC1CCC(NC(=O)N2CCOC(C(=O)O)C2)C1
InChIInChI=1S/C12H20N2O5/c1-18-9-3-2-8(6-9)13-12(17)14-4-5-19-10(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyCGINIVQHQPBCCO-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.05
Rot. Bonds3

About 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid

4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid (PubChem CID 114118255) has the molecular formula C12H20N2O5 and a molecular weight of 272.30 g/mol. Its IUPAC name is 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
PubChem CID114118255
Molecular FormulaC12H20N2O5
Molecular Weight272.30 g/mol
Exact Mass272.14
IUPAC Name4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
SMILESCOC1CCC(NC(=O)N2CCOC(C(=O)O)C2)C1
InChIInChI=1S/C12H20N2O5/c1-18-9-3-2-8(6-9)13-12(17)14-4-5-19-10(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16)
InChIKeyCGINIVQHQPBCCO-UHFFFAOYSA-N
XLogP0.05
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-methoxycyclopentyl)-3-methylpiperidine-1-carboxamide
CID 103082501
4-[(2-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid
CID 62088277
3-[(2-methylmorpholine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66030812
(3S,4S)-1-[(3-methoxycyclopentyl)carbamoyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 122011425
3-[(4-methoxypiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 66032810
[(1S,3S)-3-methoxycyclopentyl]carbamic acid
CID 135318660
N-cyclopropyl-2-methylmorpholine-4-carboxamide
CID 110310077
4-(2-cyclopropylpropan-2-ylcarbamoyl)morpholine-2-carboxylic acid
CID 114111577
4-acetylmorpholine-2-carboxylic acid
CID 20598078
4-acetylmorpholine-2-carboxylic acid;ethane
CID 144675076
3-[(3-methoxycarbonylpiperidine-1-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 115535206
1-[(3-ethoxycyclobutyl)carbamoyl]pyrrolidine-3-carboxylic acid
CID 114120212

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid (CID 114118255) is 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid is COC1CCC(NC(=O)N2CCOC(C(=O)O)C2)C1.
What is the InChIKey of 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid?
The InChIKey is CGINIVQHQPBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O5/c1-18-9-3-2-8(6-9)13-12(17)14-4-5-19-10(7-14)11(15)16/h8-10H,2-7H2,1H3,(H,13,17)(H,15,16).
What are the key properties of 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid?
4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid has a molecular weight of 272.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methoxycyclopentyl)carbamoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 114118255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).