(2S)-N-propylpyrrolidin-1-ium-2-carboxamide

C8H17N2O+ — CID 2106903

IUPAC(2S)-N-propylpyrrolidin-1-ium-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C8H16N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h7,9H,2-6H2,1H3,(H,10,11)/p+1/t7-/m0/s1
InChIKeyITPBGPDKSKEXEA-ZETCQYMHSA-O
MW157.24 g/mol
LogP-0.76
Rot. Bonds3

About (2S)-N-propylpyrrolidin-1-ium-2-carboxamide

(2S)-N-propylpyrrolidin-1-ium-2-carboxamide (PubChem CID 2106903) has the molecular formula C8H17N2O+ and a molecular weight of 157.24 g/mol. Its IUPAC name is (2S)-N-propylpyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-propylpyrrolidin-1-ium-2-carboxamide
PubChem CID2106903
Molecular FormulaC8H17N2O+
Molecular Weight157.24 g/mol
Exact Mass157.13
IUPAC Name(2S)-N-propylpyrrolidin-1-ium-2-carboxamide
SMILESCCCNC(=O)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C8H16N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h7,9H,2-6H2,1H3,(H,10,11)/p+1/t7-/m0/s1
InChIKeyITPBGPDKSKEXEA-ZETCQYMHSA-O
XLogP-0.76
TPSA45.71 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 5-0.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-N-hexadecylpyrrolidin-1-ium-2-carboxamide chloride
CID 110188238
N-propylcyclooctanecarboxamide
CID 65022755
N-propylcyclohexanecarboxamide;hydrochloride
CID 174790388
4-N-cyclopropyl-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144255
N-propylpyrrolidine-2-carboxamide
CID 4984185
cis-(1R,2R)-2-ethyl-N-propylcyclopropane-1-carboxamide
CID 131227361
2-ethyl-N-propylcyclopropane-1-carboxamide
CID 131227358
cis-(1R,2S)-2-methyl-N-propylcyclopropane-1-carboxamide
CID 95357811
methyl (2S)-pyrrolidin-1-ium-2-carboxylate chloride
CID 10877481
N-[2-(propylamino)ethyl]cyclobutanecarboxamide
CID 62658991
4-N-(2-methylpropyl)-1-N-propylcyclohexane-1,4-dicarboxamide
CID 109144258
3-N-propylcyclopentane-1,3-dicarboxamide
CID 68522945

Frequently Asked Questions

What is the IUPAC name of (2S)-N-propylpyrrolidin-1-ium-2-carboxamide?
The IUPAC name of (2S)-N-propylpyrrolidin-1-ium-2-carboxamide (CID 2106903) is (2S)-N-propylpyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-N-propylpyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for (2S)-N-propylpyrrolidin-1-ium-2-carboxamide is CCCNC(=O)[C@@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-N-propylpyrrolidin-1-ium-2-carboxamide?
The InChIKey is ITPBGPDKSKEXEA-ZETCQYMHSA-O. The full InChI is InChI=1S/C8H16N2O/c1-2-5-10-8(11)7-4-3-6-9-7/h7,9H,2-6H2,1H3,(H,10,11)/p+1/t7-/m0/s1.
What are the key properties of (2S)-N-propylpyrrolidin-1-ium-2-carboxamide?
(2S)-N-propylpyrrolidin-1-ium-2-carboxamide has a molecular weight of 157.24 g/mol, XLogP of -0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-propylpyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 2106903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).