3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid

C10H19NO2 — CID 105441708

IUPAC3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NCC1CCC(C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7(2)11-6-8-3-4-9(5-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQHVXJDWPLHIGPS-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.49
Rot. Bonds4

About 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid

3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid (PubChem CID 105441708) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
PubChem CID105441708
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid
SMILESCC(C)NCC1CCC(C(=O)O)C1
InChIInChI=1S/C10H19NO2/c1-7(2)11-6-8-3-4-9(5-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13)
InChIKeyQHVXJDWPLHIGPS-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(pentan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 79532413
N-[(4-prop-1-en-2-ylcyclohexyl)methyl]propan-2-amine
CID 145088274
4-[[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 79529802
2-[(3-methylcyclopentyl)methylamino]propanoic acid
CID 107411961
trans-(1S,3S)-3-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 58431127
3-(diethylaminomethyl)cyclopentane-1-carboxylic acid
CID 83819168
4-[[[1-(ethylamino)-1-oxopropan-2-yl]amino]methyl]cyclohexane-1-carboxylic acid
CID 79531735
4-[(1-ethoxypropan-2-ylamino)methyl]cyclohexane-1-carboxylic acid
CID 104964102
(1S)-3-(carboxymethyl)cyclopentane-1-carboxylic acid
CID 146210075
3-(anilinomethyl)cyclopentane-1-carboxylic acid
CID 105474187
3-(2-fluoroethyl)cyclopentane-1-carboxylic acid
CID 84716733
4-[[(3-propan-2-ylcyclobutyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 103565225

Frequently Asked Questions

What is the IUPAC name of 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid (CID 105441708) is 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid is CC(C)NCC1CCC(C(=O)O)C1.
What is the InChIKey of 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is QHVXJDWPLHIGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-7(2)11-6-8-3-4-9(5-8)10(12)13/h7-9,11H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid?
3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 185.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(propan-2-ylamino)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 105441708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).