(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide

C7H15N3O — CID 129495358

IUPAC(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H]1[C@@H](C)O
InChIInChI=1S/C7H15N3O/c1-5(11)6-3-2-4-10(6)7(8)9/h5-6,11H,2-4H2,1H3,(H3,8,9)/t5-,6+/m1/s1
InChIKeyGRHDPNOCACOUON-RITPCOANSA-N
MW157.22 g/mol
LogP-0.27
Rot. Bonds1

About (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide

(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide (PubChem CID 129495358) has the molecular formula C7H15N3O and a molecular weight of 157.22 g/mol. Its IUPAC name is (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
PubChem CID129495358
Molecular FormulaC7H15N3O
Molecular Weight157.22 g/mol
Exact Mass157.12
IUPAC Name(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide
SMILES[H]/N=C(\N)N1CCC[C@H]1[C@@H](C)O
InChIInChI=1S/C7H15N3O/c1-5(11)6-3-2-4-10(6)7(8)9/h5-6,11H,2-4H2,1H3,(H3,8,9)/t5-,6+/m1/s1
InChIKeyGRHDPNOCACOUON-RITPCOANSA-N
XLogP-0.27
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-aminoethyl)piperidine-1-carboximidamide
CID 18663754
2-methylpyrrolidine-1-carboximidamide
CID 60974504
2-(hydroxymethyl)pyrrolidine-1-carboximidamide
CID 18435489
N-(diaminomethylidene)-2-propan-2-ylpyrrolidine-1-carboximidamide
CID 83036360
(2R)-2-methylazetidine-1-carboximidamide
CID 146189041
(2S)-2-amino-1-[(2S)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493927
(2S)-2-amino-1-[(2R)-2-[(1R)-1-hydroxyethyl]piperidin-1-yl]propan-1-one
CID 129493925
(1R)-1-[(2R)-1-methylpyrrolidin-2-yl]ethanol
CID 155904197
(3S)-3-amino-2-ethoxypiperidine-1-carboximidamide
CID 131851052
2-[(E)-(dimethylhydrazinylidene)methyl]pyrrolidine-1-carboximidamide
CID 87660327
tert-butyl (2R)-2-[(1S)-1-hydroxyethyl]pyrrolidine-1-carboxylate
CID 95566963
3-(2-aminopropyl)pyrrolidine-1-carboximidamide
CID 21018796

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide?
The IUPAC name of (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide (CID 129495358) is (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide.
What is the SMILES notation for (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide?
The canonical SMILES for (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide is [H]/N=C(\N)N1CCC[C@H]1[C@@H](C)O.
What is the InChIKey of (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide?
The InChIKey is GRHDPNOCACOUON-RITPCOANSA-N. The full InChI is InChI=1S/C7H15N3O/c1-5(11)6-3-2-4-10(6)7(8)9/h5-6,11H,2-4H2,1H3,(H3,8,9)/t5-,6+/m1/s1.
What are the key properties of (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide?
(2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide has a molecular weight of 157.22 g/mol, XLogP of -0.27, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(1R)-1-hydroxyethyl]pyrrolidine-1-carboximidamide is sourced from PubChem (CID 129495358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).