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

C10H20N2O2 — CID 103950641

IUPAC2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC[C@H](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-MGURRDGZSA-N
MW200.28 g/mol
LogP-0.05
Rot. Bonds3

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

2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one (PubChem CID 103950641) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
PubChem CID103950641
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
SMILESCCC(C)C(N)C(=O)N1CC[C@H](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-MGURRDGZSA-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,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
(2S)-2-amino-1-(4-hydroxy-3-methylpiperidin-1-yl)-3-methylpentan-1-one
CID 104940920
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-3-methylpentan-1-one
CID 103942735
(2R)-2-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]propan-1-one
CID 86323735
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810273
ethyl 2-amino-3-[(3R)-3-hydroxypyrrolidin-1-yl]-3-oxopropanoate
CID 107217271
1-[(2S,3S)-2-amino-3-methylpentanoyl]piperidine-3-carboxylic acid
CID 61157542
2-(aminomethyl)-1-[(3R)-3-hydroxypyrrolidin-1-yl]butan-1-one
CID 107217153
2-amino-1-(3,4-dimethylpiperazin-1-yl)-3-methylpentan-1-one
CID 63634723
2-amino-1-[3-(methoxymethyl)piperidin-1-yl]-3-methylpentan-1-one
CID 103810688

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
The IUPAC name of 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one (CID 103950641) is 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one.
What is the SMILES notation for 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
The canonical SMILES for 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one is CCC(C)C(N)C(=O)N1CC[C@H](O)C1.
What is the InChIKey of 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
The InChIKey is ZWNIUMCPTYAQHR-MGURRDGZSA-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 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one?
2-amino-1-[(3S)-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 2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one is sourced from PubChem (CID 103950641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).