(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

C7H15N3O2 — CID 143294996

IUPAC(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](O)CN1N
InChIInChI=1S/C7H15N3O2/c1-9(2)7(12)6-3-5(11)4-10(6)8/h5-6,11H,3-4,8H2,1-2H3/t5-,6+/m1/s1
InChIKeyGXNSLDNJBYGWMJ-RITPCOANSA-N
MW173.22 g/mol
LogP-1.62
Rot. Bonds1

About (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide

(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 143294996) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID143294996
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide
SMILESCN(C)C(=O)[C@@H]1C[C@@H](O)CN1N
InChIInChI=1S/C7H15N3O2/c1-9(2)7(12)6-3-5(11)4-10(6)8/h5-6,11H,3-4,8H2,1-2H3/t5-,6+/m1/s1
InChIKeyGXNSLDNJBYGWMJ-RITPCOANSA-N
XLogP-1.62
TPSA69.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-1.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-1-(dimethylcarbamoyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 63841662
(2R,4S)-4-amino-N,N-dimethyl-1-prop-2-enoylpyrrolidine-2-carboxamide
CID 155325555
(2R,4S)-4-hydroxy-1-methylpyrrolidine-2-carboxamide
CID 118191009
1-[2-(dimethylamino)-2-oxoethyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351672
1-[1-(dimethylamino)-1-oxopropan-2-yl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351214
(2S,4R)-1-acetyl-4-hydroxypyrrolidine-2-carboxamide
CID 45116064
1-[(2S)-4-hydroxy-1-methylpyrrolidin-2-yl]ethanone
CID 59918461
(4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58820492
(3R,5R)-1-amino-5-ethylpyrrolidin-3-ol
CID 166010699
(2R,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid
CID 58493970
N,N-dimethyl-1-azabicyclo[3.2.1]octane-7-carboxamide
CID 121227558
(2R,4R)-1-[butan-2-yl(methyl)carbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 78999436

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide (CID 143294996) is (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is CN(C)C(=O)[C@@H]1C[C@@H](O)CN1N.
What is the InChIKey of (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is GXNSLDNJBYGWMJ-RITPCOANSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9(2)7(12)6-3-5(11)4-10(6)8/h5-6,11H,3-4,8H2,1-2H3/t5-,6+/m1/s1.
What are the key properties of (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide?
(2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 173.22 g/mol, XLogP of -1.62, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-amino-4-hydroxy-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 143294996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).