2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

C13H22N2O4 — CID 64815766

IUPAC2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCCC1CCCO1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c16-12(17)10-4-1-5-11(10)15-13(18)14-7-6-9-3-2-8-19-9/h9-11H,1-8H2,(H,16,17)(H2,14,15,18)
InChIKeyPANPRGFRYRRHLS-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.11
Rot. Bonds5

About 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid

2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (PubChem CID 64815766) has the molecular formula C13H22N2O4 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
PubChem CID64815766
Molecular FormulaC13H22N2O4
Molecular Weight270.33 g/mol
Exact Mass270.16
IUPAC Name2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
SMILESO=C(NCCC1CCCO1)NC1CCCC1C(=O)O
InChIInChI=1S/C13H22N2O4/c16-12(17)10-4-1-5-11(10)15-13(18)14-7-6-9-3-2-8-19-9/h9-11H,1-8H2,(H,16,17)(H2,14,15,18)
InChIKeyPANPRGFRYRRHLS-UHFFFAOYSA-N
XLogP1.11
TPSA87.66 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclopropyl-3-[2-(oxan-2-yl)ethyl]urea
CID 103975410
3-oxo-3-[2-(oxolan-2-yl)ethylamino]propanoic acid
CID 62230104
2-amino-3-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 55117010
2-(3,3,3-trifluoropropylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64815987
4-[2-(oxolan-2-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63782308
2-[2-[2-(oxolan-2-yl)ethylcarbamoylamino]ethoxy]acetic acid
CID 79463058
2-[3-(oxolan-2-yl)propyl]cyclopentane-1-carboxylic acid
CID 81008976
1-(2-methylprop-2-enyl)-3-[2-(oxolan-2-yl)ethyl]urea
CID 91661489
methyl N-[2-(oxolan-2-yl)ethyl]carbamate
CID 110731266
2-methoxy-3-[2-(oxolan-2-yl)ethylcarbamoylamino]propanoic acid
CID 106110007
3-amino-2-methyl-N-[2-(oxan-2-yl)ethyl]cyclohexane-1-carboxamide
CID 106000870
(2S)-4-amino-4-oxo-2-[2-(oxolan-2-yl)ethylcarbamoylamino]butanoic acid
CID 63716998

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The IUPAC name of 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid (CID 64815766) is 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is O=C(NCCC1CCCO1)NC1CCCC1C(=O)O.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
The InChIKey is PANPRGFRYRRHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4/c16-12(17)10-4-1-5-11(10)15-13(18)14-7-6-9-3-2-8-19-9/h9-11H,1-8H2,(H,16,17)(H2,14,15,18).
What are the key properties of 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid?
2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid has a molecular weight of 270.33 g/mol, XLogP of 1.11, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64815766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).