2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid

C10H17NO4 — CID 64813718

IUPAC2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESCOCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-15-6-5-9(12)11-8-4-2-3-7(8)10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyKRTZJFPEQQTUNW-UHFFFAOYSA-N
MW215.25 g/mol
LogP0.39
Rot. Bonds5

About 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid

2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid (PubChem CID 64813718) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
PubChem CID64813718
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Name2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid
SMILESCOCCC(=O)NC1CCCC1C(=O)O
InChIInChI=1S/C10H17NO4/c1-15-6-5-9(12)11-8-4-2-3-7(8)10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14)
InChIKeyKRTZJFPEQQTUNW-UHFFFAOYSA-N
XLogP0.39
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,2R)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
CID 1268163
(1R,2S)-2-(tert-Butoxycarbonylamino)cyclopentanecarboxylic acid
CID 1268160
(1R,2R)-2-(((tert-butoxy)carbonyl)amino)cyclopentane-1-carboxylic acid
CID 1268161
(1S,2S)-2-{[(tert-butoxy)carbonyl]amino}cyclopentane-1-carboxylic acid
CID 1268162
2-((tert-Butoxycarbonyl)amino)cyclopentanecarboxylic acid
CID 3564732
(1R,2S)-2-acetamidocyclopentane-1-carboxylic acid
CID 129926169
Methyl 2-acetamidocyclopentanecarboxylate
CID 45119239
4-Ethyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 64349005
4-Methyl-6-[3-(2,2,2-trifluoroethoxy)propanoylamino]hexanoic acid
CID 64365712
2-[3-(2,2,2-Trifluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 64812443
1-Methyl-2-[3-(2,2,2-trifluoroethoxy)propanoylamino]cyclopentane-1-carboxylic acid
CID 82760523
6-[3-(2,2-Difluoroethoxy)propanoylamino]-4-ethylhexanoic acid
CID 103206039

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid (CID 64813718) is 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid is COCCC(=O)NC1CCCC1C(=O)O.
What is the InChIKey of 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid?
The InChIKey is KRTZJFPEQQTUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-15-6-5-9(12)11-8-4-2-3-7(8)10(13)14/h7-8H,2-6H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid?
2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 0.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropanoylamino)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 64813718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).