(2S)-2-propylpiperidine-2-carboxylic acid

C9H17NO2 — CID 101384273

IUPAC(2S)-2-propylpiperidine-2-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCCN1
InChIInChI=1S/C9H17NO2/c1-2-5-9(8(11)12)6-3-4-7-10-9/h10H,2-7H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyPEFJXLRRICMJFX-VIFPVBQESA-N
MW171.24 g/mol
LogP1.38
Rot. Bonds3

About (2S)-2-propylpiperidine-2-carboxylic acid

(2S)-2-propylpiperidine-2-carboxylic acid (PubChem CID 101384273) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (2S)-2-propylpiperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-propylpiperidine-2-carboxylic acid
PubChem CID101384273
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(2S)-2-propylpiperidine-2-carboxylic acid
SMILESCCC[C@@]1(C(=O)O)CCCCN1
InChIInChI=1S/C9H17NO2/c1-2-5-9(8(11)12)6-3-4-7-10-9/h10H,2-7H2,1H3,(H,11,12)/t9-/m0/s1
InChIKeyPEFJXLRRICMJFX-VIFPVBQESA-N
XLogP1.38
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2R)-2-propylpiperidine-2-carboxylate
CID 95169858
2-(2-propoxyethyl)pyrrolidine-2-carboxylic acid
CID 106454936
1-[(2-propylpyrrolidine-2-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106974817
2-prop-1-en-2-yl-2-propylazepane
CID 79179731
3-propyl-1,4-oxazepane-3-carboxylic acid
CID 105442568
2-(3,3-dimethylbutyl)pyrrolidine-2-carboxylic acid
CID 83080746
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
N-[1-(hydroxymethyl)cyclohexyl]-2-propylpyrrolidine-2-carboxamide
CID 106975117
1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
piperidin-1-yl-(2-propylpyrrolidin-2-yl)methanone
CID 106974101
N-[(1-hydroxycycloheptyl)methyl]-2-propylpyrrolidine-2-carboxamide
CID 106975355
2-(2,2-dimethylpropyl)pyrrolidine-2-carboxylic acid
CID 115103385

Frequently Asked Questions

What is the IUPAC name of (2S)-2-propylpiperidine-2-carboxylic acid?
The IUPAC name of (2S)-2-propylpiperidine-2-carboxylic acid (CID 101384273) is (2S)-2-propylpiperidine-2-carboxylic acid.
What is the SMILES notation for (2S)-2-propylpiperidine-2-carboxylic acid?
The canonical SMILES for (2S)-2-propylpiperidine-2-carboxylic acid is CCC[C@@]1(C(=O)O)CCCCN1.
What is the InChIKey of (2S)-2-propylpiperidine-2-carboxylic acid?
The InChIKey is PEFJXLRRICMJFX-VIFPVBQESA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-5-9(8(11)12)6-3-4-7-10-9/h10H,2-7H2,1H3,(H,11,12)/t9-/m0/s1.
What are the key properties of (2S)-2-propylpiperidine-2-carboxylic acid?
(2S)-2-propylpiperidine-2-carboxylic acid has a molecular weight of 171.24 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-propylpiperidine-2-carboxylic acid is sourced from PubChem (CID 101384273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).