(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid

C8H12N2O2 — CID 175271625

IUPAC(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid
SMILESN#CC[C@@H]1CCCCN1C(=O)O
InChIInChI=1S/C8H12N2O2/c9-5-4-7-3-1-2-6-10(7)8(11)12/h7H,1-4,6H2,(H,11,12)/t7-/m0/s1
InChIKeySUJSLBJWIKGHAS-ZETCQYMHSA-N
MW168.20 g/mol
LogP1.43
Rot. Bonds1

About (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid

(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid (PubChem CID 175271625) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid.

Molecular Properties

Compound Name(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid
PubChem CID175271625
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Name(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid
SMILESN#CC[C@@H]1CCCCN1C(=O)O
InChIInChI=1S/C8H12N2O2/c9-5-4-7-3-1-2-6-10(7)8(11)12/h7H,1-4,6H2,(H,11,12)/t7-/m0/s1
InChIKeySUJSLBJWIKGHAS-ZETCQYMHSA-N
XLogP1.43
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(cyanomethyl)pyrrolidine-1-carboxylic acid
CID 22500499
(2R)-2-(aminomethyl)piperidine-1-carboxylic acid
CID 67494395
2-(2-chloroethyl)piperidine-1-carboxylic acid
CID 53441587
2-(3-chloropropyl)piperidine-1-carboxylic acid
CID 68868477
(2S)-2-(3-bromo-2-oxopropyl)piperidine-1-carboxylic acid
CID 87470345
2-nitrosoazepane-1-carboxylic acid
CID 123937966
2-nonylpiperidine-1-carboxylic acid
CID 69469776
2-(2-oxoethyl)pyrrolidine-1-carboxylic acid
CID 87391824
(2S)-2-prop-2-enylpyrrolidine-1-carboxylic acid
CID 175456128
2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462
3-[1-[2-(cyanomethylsulfanyl)acetyl]piperidin-2-yl]propanoic acid
CID 62216603
2-(cyanomethyl)-5-methylpyrrolidine-1-carboxylic acid
CID 67417759

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid?
The IUPAC name of (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid (CID 175271625) is (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid.
What is the SMILES notation for (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid?
The canonical SMILES for (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid is N#CC[C@@H]1CCCCN1C(=O)O.
What is the InChIKey of (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid?
The InChIKey is SUJSLBJWIKGHAS-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H12N2O2/c9-5-4-7-3-1-2-6-10(7)8(11)12/h7H,1-4,6H2,(H,11,12)/t7-/m0/s1.
What are the key properties of (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid?
(2S)-2-(cyanomethyl)piperidine-1-carboxylic acid has a molecular weight of 168.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyanomethyl)piperidine-1-carboxylic acid is sourced from PubChem (CID 175271625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).