(2S)-pyrrolidin-1-ium-2-carboxamide

C5H11N2O+ — CID 6950540

IUPAC(2S)-pyrrolidin-1-ium-2-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/p+1/t4-/m0/s1
InChIKeyVLJNHYLEOZPXFW-BYPYZUCNSA-O
MW115.16 g/mol
LogP-1.80
Rot. Bonds1

About (2S)-pyrrolidin-1-ium-2-carboxamide

(2S)-pyrrolidin-1-ium-2-carboxamide (PubChem CID 6950540) has the molecular formula C5H11N2O+ and a molecular weight of 115.16 g/mol. Its IUPAC name is (2S)-pyrrolidin-1-ium-2-carboxamide.

Molecular Properties

Compound Name(2S)-pyrrolidin-1-ium-2-carboxamide
PubChem CID6950540
Molecular FormulaC5H11N2O+
Molecular Weight115.16 g/mol
Exact Mass115.09
IUPAC Name(2S)-pyrrolidin-1-ium-2-carboxamide
SMILESNC(=O)[C@@H]1CCC[NH2+]1
InChIInChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/p+1/t4-/m0/s1
InChIKeyVLJNHYLEOZPXFW-BYPYZUCNSA-O
XLogP-1.80
TPSA59.70 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.16
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

L-Prolinamide
CID 111306
Pyrrolidine-2-carboxamide
CID 550774
L-prolinylglycine zwitterion
CID 7408076
(2S)-aminobutyryl-L-proline n-butylamide
CID 11514390
(2S)-aminobutyryl-L-proline n-pentylamide
CID 11615987
(2S)-aminobutyryl-L-proline n-propylamide
CID 11637307
(2S)-N-methylpyrrolidine-2-carboxamide
CID 10374482
5-Oxopyrrolidine-2-carboxamide
CID 220461
(S)-pyrrolidin-1-yl(pyrrolidin-2-yl)methanone
CID 13578534
(S)-5-Oxopyrrolidine-2-carboxamide
CID 444439
N-Acetylprolinamide
CID 85395
Prolinamide, D-
CID 447554

Frequently Asked Questions

What is the IUPAC name of (2S)-pyrrolidin-1-ium-2-carboxamide?
The IUPAC name of (2S)-pyrrolidin-1-ium-2-carboxamide (CID 6950540) is (2S)-pyrrolidin-1-ium-2-carboxamide.
What is the SMILES notation for (2S)-pyrrolidin-1-ium-2-carboxamide?
The canonical SMILES for (2S)-pyrrolidin-1-ium-2-carboxamide is NC(=O)[C@@H]1CCC[NH2+]1.
What is the InChIKey of (2S)-pyrrolidin-1-ium-2-carboxamide?
The InChIKey is VLJNHYLEOZPXFW-BYPYZUCNSA-O. The full InChI is InChI=1S/C5H10N2O/c6-5(8)4-2-1-3-7-4/h4,7H,1-3H2,(H2,6,8)/p+1/t4-/m0/s1.
What are the key properties of (2S)-pyrrolidin-1-ium-2-carboxamide?
(2S)-pyrrolidin-1-ium-2-carboxamide has a molecular weight of 115.16 g/mol, XLogP of -1.80, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-pyrrolidin-1-ium-2-carboxamide is sourced from PubChem (CID 6950540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).