(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one

C11H22N2O3 — CID 81203815

IUPAC(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H22N2O3/c1-3-8(2)10(12)11(15)13-4-5-16-9(6-13)7-14/h8-10,14H,3-7,12H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyQGXGHHDZFGITLQ-SMILAEQMSA-N
MW230.31 g/mol
LogP-0.42
Rot. Bonds4

About (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one

(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one (PubChem CID 81203815) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one.

Molecular Properties

Compound Name(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
PubChem CID81203815
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
SMILESCC[C@H](C)[C@H](N)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C11H22N2O3/c1-3-8(2)10(12)11(15)13-4-5-16-9(6-13)7-14/h8-10,14H,3-7,12H2,1-2H3/t8-,9?,10-/m0/s1
InChIKeyQGXGHHDZFGITLQ-SMILAEQMSA-N
XLogP-0.42
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
CID 81203282
(2R)-4-[(2S,3S)-2-amino-3-methylpentanoyl]morpholine-2-carboxamide
CID 124591529
2-amino-3-methyl-1-(2-methyl-1,4-oxazepan-4-yl)pentan-1-one
CID 62973813
(2S)-2-amino-1-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]-3-methylpentan-1-one
CID 104969811
2-amino-1-[2-(hydroxymethyl)-5-methylmorpholin-4-yl]-3-methylpentan-1-one
CID 81203652
(2S,3S)-2-amino-1-(3-hydroxyazetidin-1-yl)-3-methylpentan-1-one
CID 103950797
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-[2-(4-chlorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 60963891
(2S,3S)-2-amino-1-[2-(4-fluorophenyl)morpholin-4-yl]-3-methylpentan-1-one
CID 61165503
(2S,3S)-2-amino-3-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)pentan-1-one
CID 103833315
2-amino-1-[(3S)-3-hydroxypyrrolidin-1-yl]-3-methylpentan-1-one
CID 103950641

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one?
The IUPAC name of (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one (CID 81203815) is (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one.
What is the SMILES notation for (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one?
The canonical SMILES for (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one is CC[C@H](C)[C@H](N)C(=O)N1CCOC(CO)C1.
What is the InChIKey of (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one?
The InChIKey is QGXGHHDZFGITLQ-SMILAEQMSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-3-8(2)10(12)11(15)13-4-5-16-9(6-13)7-14/h8-10,14H,3-7,12H2,1-2H3/t8-,9?,10-/m0/s1.
What are the key properties of (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one?
(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one has a molecular weight of 230.31 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one is sourced from PubChem (CID 81203815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).