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

C11H22N2O3 — CID 104877390

IUPAC(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCOCC1CO
InChIInChI=1S/C11H22N2O3/c1-8(2)5-10(12)11(15)13-3-4-16-7-9(13)6-14/h8-10,14H,3-7,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyGNWIIAHTQLVCBF-AXDSSHIGSA-N
MW230.31 g/mol
LogP-0.42
Rot. Bonds4

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

(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one (PubChem CID 104877390) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
PubChem CID104877390
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one
SMILESCC(C)C[C@H](N)C(=O)N1CCOCC1CO
InChIInChI=1S/C11H22N2O3/c1-8(2)5-10(12)11(15)13-3-4-16-7-9(13)6-14/h8-10,14H,3-7,12H2,1-2H3/t9?,10-/m0/s1
InChIKeyGNWIIAHTQLVCBF-AXDSSHIGSA-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-amino-4-methyl-1-[(3R)-3-methylmorpholin-4-yl]pentan-1-one
CID 106774404
2-amino-1-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-methylpentan-1-one
CID 61409806
4-[(2S)-2-amino-4-methylpentanoyl]-N-methylmorpholine-3-carboxamide
CID 83098645
(2S)-2-amino-1-[2-(hydroxymethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61155952
N'-hydroxy-3-[3-(hydroxymethyl)morpholin-4-yl]-2-methyl-3-oxopropanimidamide
CID 104877501
4-[(2R)-2-amino-4-methylpentanoyl]-N-cyclopropylmorpholine-3-carboxamide
CID 104903912
2-amino-1-(3-ethylmorpholin-4-yl)propan-1-one
CID 43613241
2-(3-aminocyclohexyl)-1-[3-(hydroxymethyl)morpholin-4-yl]propan-1-one
CID 106593089
(2R)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 104903172
(2S)-2-amino-1-(2-ethylpyrrolidin-1-yl)-4-methylpentan-1-one
CID 61165353
(2S)-2-amino-1-[2-(2-hydroxyethyl)piperidin-1-yl]-4-methylpentan-1-one
CID 61149139
2-amino-1-(3,3-dimethylmorpholin-4-yl)-4-methylpentan-1-one
CID 61430745

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
The IUPAC name of (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one (CID 104877390) is (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
The canonical SMILES for (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one is CC(C)C[C@H](N)C(=O)N1CCOCC1CO.
What is the InChIKey of (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
The InChIKey is GNWIIAHTQLVCBF-AXDSSHIGSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-8(2)5-10(12)11(15)13-3-4-16-7-9(13)6-14/h8-10,14H,3-7,12H2,1-2H3/t9?,10-/m0/s1.
What are the key properties of (2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one?
(2S)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-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)-2-amino-1-[3-(hydroxymethyl)morpholin-4-yl]-4-methylpentan-1-one is sourced from PubChem (CID 104877390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).