2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid

C14H26N2O3 — CID 54867612

IUPAC2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC)C(CNC(=O)C1CC1C(=O)O)N(C)C
InChIInChI=1S/C14H26N2O3/c1-5-9(6-2)12(16(3)4)8-15-13(17)10-7-11(10)14(18)19/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyIGDPMIPHFMTGQJ-UHFFFAOYSA-N
MW270.37 g/mol
LogP1.19
Rot. Bonds8

About 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 54867612) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID54867612
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC Name2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESCCC(CC)C(CNC(=O)C1CC1C(=O)O)N(C)C
InChIInChI=1S/C14H26N2O3/c1-5-9(6-2)12(16(3)4)8-15-13(17)10-7-11(10)14(18)19/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19)
InChIKeyIGDPMIPHFMTGQJ-UHFFFAOYSA-N
XLogP1.19
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-(dimethylamino)-3-methylbutyl]carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114390540
N-[2-(dimethylamino)-3-ethylpentyl]piperidine-4-carboxamide
CID 61275439
2-(ethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 45084458
N-[2-(dimethylamino)-3-ethylpentyl]-4-ethylpiperidine-2-carboxamide
CID 114428728
4-ethyl-2-(2-methylpropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 114511327
cis-(1R,2S)-2-[(2-ethyl-4-hydroxybutyl)carbamoyl]-4-methylcyclopentane-1-carboxylic acid
CID 114092602
2-(3-methylpentan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 61463679
2-(2-methylbutylcarbamoyl)cyclobutane-1,3-dicarboxylic acid
CID 138534718
5-[[2-(dimethylamino)-3-ethylpentyl]amino]-5-oxopentanoic acid
CID 54867611
2-(azetidin-3-yl)-N-[2-(dimethylamino)-3-ethylpentyl]propanamide
CID 116677199
cis-(1R,2S)-2-(2,3-dimethylbutylcarbamoyl)-4-methylcyclopentane-1-carboxylic acid
CID 114092436
cis-(1S,2R)-2-[(3-ethyl-2-hydroxypentyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106284398

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid (CID 54867612) is 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid is CCC(CC)C(CNC(=O)C1CC1C(=O)O)N(C)C.
What is the InChIKey of 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is IGDPMIPHFMTGQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-5-9(6-2)12(16(3)4)8-15-13(17)10-7-11(10)14(18)19/h9-12H,5-8H2,1-4H3,(H,15,17)(H,18,19).
What are the key properties of 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 270.37 g/mol, XLogP of 1.19, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(dimethylamino)-3-ethylpentyl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 54867612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).