2-[1-(methylamino)-4-propylcycloheptyl]acetic acid

C13H25NO2 — CID 65236883

IUPAC2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
SMILESCCCC1CCCC(CC(=O)O)(NC)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-11-6-4-8-13(14-2,9-7-11)10-12(15)16/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyQHPJXXBOQUVBFT-UHFFFAOYSA-N
MW227.35 g/mol
LogP2.80
Rot. Bonds5

About 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid

2-[1-(methylamino)-4-propylcycloheptyl]acetic acid (PubChem CID 65236883) has the molecular formula C13H25NO2 and a molecular weight of 227.35 g/mol. Its IUPAC name is 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid.

Molecular Properties

Compound Name2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
PubChem CID65236883
Molecular FormulaC13H25NO2
Molecular Weight227.35 g/mol
Exact Mass227.19
IUPAC Name2-[1-(methylamino)-4-propylcycloheptyl]acetic acid
SMILESCCCC1CCCC(CC(=O)O)(NC)CC1
InChIInChI=1S/C13H25NO2/c1-3-5-11-6-4-8-13(14-2,9-7-11)10-12(15)16/h11,14H,3-10H2,1-2H3,(H,15,16)
InChIKeyQHPJXXBOQUVBFT-UHFFFAOYSA-N
XLogP2.80
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(methylamino)-4-propylcycloheptane-1-carboxylic acid
CID 65088677
2-[4-propyl-1-(propylamino)cycloheptyl]acetamide
CID 65235539
1-(methylamino)-4-propylcycloheptane-1-carboxamide
CID 65089354
2-[1-(3-cyclopentylpropanoylamino)cyclopentyl]acetic acid
CID 64671798
4-cyclopropyl-1-[1-(methylamino)cyclohexyl]butan-2-one
CID 116575501
2-[8-(methylamino)spiro[4.5]decan-8-yl]acetic acid
CID 114820838
2-[1-[[2-[1-(methylamino)cyclohexyl]acetyl]amino]cyclopentyl]acetic acid
CID 65241615
2-[1-(aminomethyl)-4-propylcyclohexyl]acetic acid;hydrochloride
CID 142651659
2-[1-(2-cyclopentylethylcarbamoylamino)cyclopentyl]acetic acid
CID 64700859
1-cyclobutyl-3-[1-(methylamino)cyclohexyl]propan-2-one
CID 116575370
2-[3-ethyl-1-(propylamino)cyclopentyl]acetic acid
CID 65233526
3-[[1-(aminomethyl)-4-propylcycloheptyl]amino]propan-1-ol
CID 65377207

Frequently Asked Questions

What is the IUPAC name of 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid?
The IUPAC name of 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid (CID 65236883) is 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid.
What is the SMILES notation for 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid?
The canonical SMILES for 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid is CCCC1CCCC(CC(=O)O)(NC)CC1.
What is the InChIKey of 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid?
The InChIKey is QHPJXXBOQUVBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO2/c1-3-5-11-6-4-8-13(14-2,9-7-11)10-12(15)16/h11,14H,3-10H2,1-2H3,(H,15,16).
What are the key properties of 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid?
2-[1-(methylamino)-4-propylcycloheptyl]acetic acid has a molecular weight of 227.35 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(methylamino)-4-propylcycloheptyl]acetic acid is sourced from PubChem (CID 65236883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).