N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide

C9H19N2O2+ — CID 7172187

IUPACN-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
SMILESC[C@H](O)CNC(=O)C1CC[NH2+]CC1
InChIInChI=1S/C9H18N2O2/c1-7(12)6-11-9(13)8-2-4-10-5-3-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/p+1/t7-/m0/s1
InChIKeySASXKISDCPJSKJ-ZETCQYMHSA-O
MW187.26 g/mol
LogP-1.54
Rot. Bonds3

About N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide

N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide (PubChem CID 7172187) has the molecular formula C9H19N2O2+ and a molecular weight of 187.26 g/mol. Its IUPAC name is N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
PubChem CID7172187
Molecular FormulaC9H19N2O2+
Molecular Weight187.26 g/mol
Exact Mass187.14
IUPAC NameN-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide
SMILESC[C@H](O)CNC(=O)C1CC[NH2+]CC1
InChIInChI=1S/C9H18N2O2/c1-7(12)6-11-9(13)8-2-4-10-5-3-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/p+1/t7-/m0/s1
InChIKeySASXKISDCPJSKJ-ZETCQYMHSA-O
XLogP-1.54
TPSA65.94 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.26
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
The IUPAC name of N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide (CID 7172187) is N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide.
What is the SMILES notation for N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
The canonical SMILES for N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide is C[C@H](O)CNC(=O)C1CC[NH2+]CC1.
What is the InChIKey of N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
The InChIKey is SASXKISDCPJSKJ-ZETCQYMHSA-O. The full InChI is InChI=1S/C9H18N2O2/c1-7(12)6-11-9(13)8-2-4-10-5-3-8/h7-8,10,12H,2-6H2,1H3,(H,11,13)/p+1/t7-/m0/s1.
What are the key properties of N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide?
N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide has a molecular weight of 187.26 g/mol, XLogP of -1.54, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-hydroxypropyl]piperidin-1-ium-4-carboxamide is sourced from PubChem (CID 7172187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).