(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one

C9H18N2O3 — CID 107570937

IUPAC(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H18N2O3/c1-2-3-6(10)9(14)11-4-7(12)8(13)5-11/h6-8,12-13H,2-5,10H2,1H3/t6-,7?,8?/m1/s1
InChIKeyCVBHIGDGYQHQPY-JECWYVHBSA-N
MW202.25 g/mol
LogP-1.32
Rot. Bonds3

About (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one

(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one (PubChem CID 107570937) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
PubChem CID107570937
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
SMILESCCC[C@@H](N)C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C9H18N2O3/c1-2-3-6(10)9(14)11-4-7(12)8(13)5-11/h6-8,12-13H,2-5,10H2,1H3/t6-,7?,8?/m1/s1
InChIKeyCVBHIGDGYQHQPY-JECWYVHBSA-N
XLogP-1.32
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butan-1-one
CID 107220584
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)pentan-1-one
CID 79181119
(2S)-2-amino-1-(2,6-dimethylthiomorpholin-4-yl)pentan-1-one
CID 107569802
(2S)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-4-methylsulfanylbutan-1-one
CID 106668824
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one
CID 43649994
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-2-aminopentan-1-one;hydrochloride
CID 119326391
2-amino-1-(2,6-dimethylmorpholin-4-yl)pentan-1-one;hydrochloride
CID 119261693
2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)pentan-1-one
CID 114678311
(2S)-2-amino-1-[(3S)-3-hydroxypiperidin-1-yl]pentan-1-one
CID 93318647
2-amino-1-(azocan-1-yl)pentan-1-one;hydrochloride
CID 119264220
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
CID 106669235
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one (CID 107570937) is (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one is CCC[C@@H](N)C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one?
The InChIKey is CVBHIGDGYQHQPY-JECWYVHBSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-3-6(10)9(14)11-4-7(12)8(13)5-11/h6-8,12-13H,2-5,10H2,1H3/t6-,7?,8?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one?
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one has a molecular weight of 202.25 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one is sourced from PubChem (CID 107570937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).