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

C9H18N2O3 — CID 81203282

IUPAC(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H18N2O3/c1-2-8(10)9(13)11-3-4-14-7(5-11)6-12/h7-8,12H,2-6,10H2,1H3/t7?,8-/m0/s1
InChIKeyCXHMHQVDMBENQX-MQWKRIRWSA-N
MW202.25 g/mol
LogP-1.06
Rot. Bonds3

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

(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one (PubChem CID 81203282) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one.

Molecular Properties

Compound Name(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
PubChem CID81203282
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Name(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one
SMILESCC[C@H](N)C(=O)N1CCOC(CO)C1
InChIInChI=1S/C9H18N2O3/c1-2-8(10)9(13)11-3-4-14-7(5-11)6-12/h7-8,12H,2-6,10H2,1H3/t7?,8-/m0/s1
InChIKeyCXHMHQVDMBENQX-MQWKRIRWSA-N
XLogP-1.06
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,3S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 81203815
(2S)-2-amino-1-[2-(pyrazol-1-ylmethyl)morpholin-4-yl]butan-1-one
CID 119881008
(2S)-2-amino-1-(2-ethylmorpholin-4-yl)hexan-1-one
CID 103831207
2-amino-1-(2-ethylmorpholin-4-yl)-3-methoxypropan-1-one;hydrochloride
CID 120984960
(2R)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203556
2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]-2-phenylethanone
CID 81203547
1-[2-(hydroxymethyl)morpholin-4-yl]-2-propoxyethanone
CID 103804092
(2S)-2-amino-1-(3-methylpiperidin-1-yl)butan-1-one
CID 79025192
(2S)-2-amino-1-[(2S)-2-(methoxymethyl)morpholin-4-yl]-4-methylpentan-1-one
CID 124721809
2-[4-[(2S)-2-amino-3-methylpentanoyl]morpholin-2-yl]acetic acid
CID 66433819
cyclopropyl-[2-(hydroxymethyl)morpholin-4-yl]methanone
CID 81208707
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methoxyethanone
CID 81208943

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one?
The IUPAC name of (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one (CID 81203282) is (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one.
What is the SMILES notation for (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one?
The canonical SMILES for (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one is CC[C@H](N)C(=O)N1CCOC(CO)C1.
What is the InChIKey of (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one?
The InChIKey is CXHMHQVDMBENQX-MQWKRIRWSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-2-8(10)9(13)11-3-4-14-7(5-11)6-12/h7-8,12H,2-6,10H2,1H3/t7?,8-/m0/s1.
What are the key properties of (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one?
(2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one has a molecular weight of 202.25 g/mol, XLogP of -1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-[2-(hydroxymethyl)morpholin-4-yl]butan-1-one is sourced from PubChem (CID 81203282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).