(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one

C10H20N2O2 — CID 10845727

IUPAC(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(O)C1
InChIInChI=1S/C10H20N2O2/c1-3-7(2)9(11)10(14)12-5-4-8(13)6-12/h7-9,13H,3-6,11H2,1-2H3/t7-,8?,9-/m0/s1
InChIKeyZWNIUMCPTYAQHR-SMOXQLQSSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

About (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one

(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one (PubChem CID 10845727) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one
PubChem CID10845727
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCC(O)C1
InChIInChI=1S/C10H20N2O2/c1-3-7(2)9(11)10(14)12-5-4-8(13)6-12/h7-9,13H,3-6,11H2,1-2H3/t7-,8?,9-/m0/s1
InChIKeyZWNIUMCPTYAQHR-SMOXQLQSSA-N
XLogP-0.05
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2-amino-3-hydroxy-1-(pyrrolidin-1-yl)butan-1-one
CID 44560823
2-Amino-3-hydroxy-1-pyrrolidin-1-ylbutan-1-one
CID 21252067
US11096924, DASH-inhibitors 4312 S
CID 148133778
US11096924, DASH-inhibitors 4312
CID 153313555
(2S)-2,6-diamino-1-(3-hydroxypyrrolidin-1-yl)hexan-1-one
CID 11310450
2-Amino-1-(3-hydroxy-pyrrolidin-1-yl)-3-methyl-pentan-1-one
CID 44364210
2,6-Diamino-1-(3-hydroxy-pyrrolidin-1-yl)-hexan-1-one
CID 44364458
(2S,3R)-1-((1S,5R)-2-aza-bicyclo[3.1.0]hexan-2-yl)-2-amino-3-hydroxybutan-1-one
CID 44433944
N-[(3R,4R)-1-(2-cyclopropylacetyl)-4-hydroxypyrrolidin-3-yl]acetamide
CID 110132987
H-Leu-Leu-Thr-Pro-Val-NH2
CID 145959769
N-Acetyl-L-threonyl-L-isoleucinamide
CID 101137759
tert-butyl N-[1-(3-hydroxypyrrolidine-1-carbonyl)-3-methyl-butyl]carbamate
CID 471358

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one (CID 10845727) is (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCC(O)C1.
What is the InChIKey of (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one?
The InChIKey is ZWNIUMCPTYAQHR-SMOXQLQSSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-3-7(2)9(11)10(14)12-5-4-8(13)6-12/h7-9,13H,3-6,11H2,1-2H3/t7-,8?,9-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one?
(2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one has a molecular weight of 200.28 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylpentan-1-one is sourced from PubChem (CID 10845727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).