(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide

C6H14N4O — CID 89196877

IUPAC(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC[C@H](O)C1
InChIInChI=1S/C6H14N4O/c1-8-6(9-7)10-3-2-5(11)4-10/h5,11H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeySCGNKCXMXZMXGS-YFKPBYRVSA-N
MW158.20 g/mol
LogP-1.50
Rot. Bonds

About (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide

(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide (PubChem CID 89196877) has the molecular formula C6H14N4O and a molecular weight of 158.20 g/mol. Its IUPAC name is (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide.

Molecular Properties

Compound Name(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
PubChem CID89196877
Molecular FormulaC6H14N4O
Molecular Weight158.20 g/mol
Exact Mass158.12
IUPAC Name(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
SMILESC/N=C(\NN)N1CC[C@H](O)C1
InChIInChI=1S/C6H14N4O/c1-8-6(9-7)10-3-2-5(11)4-10/h5,11H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
InChIKeySCGNKCXMXZMXGS-YFKPBYRVSA-N
XLogP-1.50
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(3S)-N-cyano-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide
CID 122467431
N-amino-3-(methoxymethyl)-N'-methylpyrrolidine-1-carboximidamide
CID 104882303
N-amino-4-ethyl-N'-methylpiperidine-1-carboximidamide
CID 104882168
N-amino-3-methoxy-N'-methylpiperidine-1-carboximidamide
CID 102972038
N-amino-4-(methoxymethyl)-N'-methylpiperidine-1-carboximidamide
CID 104882225
(2R,6S)-N-amino-N',2,6-trimethylmorpholine-4-carboximidamide
CID 104961933
N-amino-3,4-dimethyl-N'-propan-2-ylpiperidine-1-carboximidamide
CID 104888958
N-amino-N'-cyclopropyl-3-methylpyrrolidine-1-carboximidamide
CID 104884388
(3R)-N-ethyl-N'-(2-ethylbutyl)-3-hydroxypyrrolidine-1-carboximidamide
CID 111991101
N-cyclobutyl-4-hydroxy-N'-methylpiperidine-1-carboximidamide;hydroiodide
CID 119153414
N-amino-N'-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carboximidamide
CID 104882395
N-amino-4-[2-(dimethylamino)ethyl]-N'-methylpiperazine-1-carboximidamide
CID 104881912

Frequently Asked Questions

What is the IUPAC name of (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
The IUPAC name of (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide (CID 89196877) is (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide.
What is the SMILES notation for (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
The canonical SMILES for (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide is C/N=C(\NN)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
The InChIKey is SCGNKCXMXZMXGS-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H14N4O/c1-8-6(9-7)10-3-2-5(11)4-10/h5,11H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1.
What are the key properties of (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide?
(3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide has a molecular weight of 158.20 g/mol, XLogP of -1.50, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-amino-3-hydroxy-N'-methylpyrrolidine-1-carboximidamide is sourced from PubChem (CID 89196877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).