(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

C7H14N2O2 — CID 86323735

IUPAC(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C7H14N2O2/c1-5(8)7(11)9-3-2-6(10)4-9/h5-6,10H,2-4,8H2,1H3/t5-,6-/m1/s1
InChIKeyLSPXPIIMNBUMRB-PHDIDXHHSA-N
MW158.20 g/mol
LogP-1.07
Rot. Bonds1

About (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one

(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (PubChem CID 86323735) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
PubChem CID86323735
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
SMILESC[C@@H](N)C(=O)N1CC[C@@H](O)C1
InChIInChI=1S/C7H14N2O2/c1-5(8)7(11)9-3-2-6(10)4-9/h5-6,10H,2-4,8H2,1H3/t5-,6-/m1/s1
InChIKeyLSPXPIIMNBUMRB-PHDIDXHHSA-N
XLogP-1.07
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-1-[(3R)-3-hydroxypiperidin-1-yl]propan-1-one
CID 93086372
2-amino-1-(3-hydroxypiperidin-1-yl)propan-1-one
CID 43503084
(2S)-2-amino-1-[(3S,4R)-4-hydroxy-3-methylpiperidin-1-yl]propan-1-one
CID 129380985
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641
2-amino-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 115734771
(2S)-2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylbut-3-en-1-one
CID 89061522
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-2-methylheptan-1-one
CID 107217224
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2,3,3-trimethylbutan-1-one
CID 131007907
2-fluoro-1-[(3R)-3-hydroxypyrrolidin-1-yl]-3-methylbutan-1-one
CID 130684881
(2R)-2-amino-1-(3,5-dimethylazepan-1-yl)propan-1-one
CID 130747616
2-amino-1-[3-(aminomethyl)pyrrolidin-1-yl]propan-1-one
CID 131134494
2-amino-1-(3-fluoro-4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 130635409

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The IUPAC name of (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one (CID 86323735) is (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The canonical SMILES for (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is C[C@@H](N)C(=O)N1CC[C@@H](O)C1.
What is the InChIKey of (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
The InChIKey is LSPXPIIMNBUMRB-PHDIDXHHSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-5(8)7(11)9-3-2-6(10)4-9/h5-6,10H,2-4,8H2,1H3/t5-,6-/m1/s1.
What are the key properties of (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one?
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one has a molecular weight of 158.20 g/mol, XLogP of -1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 86323735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).