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

C7H14N2O3 — CID 106669235

IUPAC(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C7H14N2O3/c1-4(8)7(12)9-2-5(10)6(11)3-9/h4-6,10-11H,2-3,8H2,1H3/t4-,5?,6?/m1/s1
InChIKeyGAQYIWBBMWUVER-IISSFJTQSA-N
MW174.20 g/mol
LogP-2.10
Rot. Bonds1

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

(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one (PubChem CID 106669235) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
PubChem CID106669235
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one
SMILESC[C@@H](N)C(=O)N1CC(O)C(O)C1
InChIInChI=1S/C7H14N2O3/c1-4(8)7(12)9-2-5(10)6(11)3-9/h4-6,10-11H,2-3,8H2,1H3/t4-,5?,6?/m1/s1
InChIKeyGAQYIWBBMWUVER-IISSFJTQSA-N
XLogP-2.10
TPSA86.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-2.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-(3-ethyl-4-hydroxypyrrolidin-1-yl)propan-1-one
CID 131098043
(2S)-2-amino-1-[(3R,4R)-3-hydroxy-4-methoxypyrrolidin-1-yl]propan-1-one
CID 129321535
(2R)-2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79180602
2-amino-1-(3,4-dimethylpyrrolidin-1-yl)propan-1-one
CID 79181117
2-[1-[(2S)-2-aminopropanoyl]azetidin-3-yl]propanoic acid
CID 104892415
3-amino-1-(3,4-dihydroxypyrrolidin-1-yl)-2-methylpropan-1-one
CID 106668494
(2S)-2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one
CID 107220766
2-amino-1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]butan-1-one
CID 107220584
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)pentan-1-one
CID 107570937
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
1-[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-2-methylsulfanylpropan-1-one
CID 130639287

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one (CID 106669235) is (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one is C[C@@H](N)C(=O)N1CC(O)C(O)C1.
What is the InChIKey of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one?
The InChIKey is GAQYIWBBMWUVER-IISSFJTQSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4(8)7(12)9-2-5(10)6(11)3-9/h4-6,10-11H,2-3,8H2,1H3/t4-,5?,6?/m1/s1.
What are the key properties of (2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one?
(2R)-2-amino-1-(3,4-dihydroxypyrrolidin-1-yl)propan-1-one has a molecular weight of 174.20 g/mol, XLogP of -2.10, 1 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)propan-1-one is sourced from PubChem (CID 106669235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).