(2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride

C8H17ClN2O2 — CID 86690681

IUPAC(2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride
SMILESCC[C@H](N)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-7(9)8(11)10-3-5-12-6-4-10;/h7H,2-6,9H2,1H3;1H/t7-;/m0./s1
InChIKeyRQGHDTWPROXKEX-FJXQXJEOSA-N
MW208.69 g/mol
LogP0.00
Rot. Bonds2

About (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride

(2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride (PubChem CID 86690681) has the molecular formula C8H17ClN2O2 and a molecular weight of 208.69 g/mol. Its IUPAC name is (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride
PubChem CID86690681
Molecular FormulaC8H17ClN2O2
Molecular Weight208.69 g/mol
Exact Mass208.10
IUPAC Name(2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride
SMILESCC[C@H](N)C(=O)N1CCOCC1.Cl
InChIInChI=1S/C8H16N2O2.ClH/c1-2-7(9)8(11)10-3-5-12-6-4-10;/h7H,2-6,9H2,1H3;1H/t7-;/m0./s1
InChIKeyRQGHDTWPROXKEX-FJXQXJEOSA-N
XLogP0.00
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

LM11A-31
CID 18604758
2-amino-3-methyl-N-[2-(morpholin-4-yl)ethyl]pentanamide
CID 11959372
2,4-Diamino-1-morpholin-4-yl-butan-1-one
CID 44364253
2-Amino-1-(morpholin-4-yl)butan-1-one
CID 22273198
N-[3-(morpholin-4-yl)propyl]-N'-(propan-2-yl)ethanediamide
CID 2055735
2-Amino-4-methyl-1-(morpholin-4-YL)pentan-1-one
CID 21355341
Butanamide, N-(4-(4-morpholinyl)-4-oxobutyl)-
CID 3067789
2-Amino-1-(morpholin-4-yl)propan-1-one hydrochloride
CID 22722814
2-amino-3-methyl-N-(2-morpholin-4-ylethyl)pentanamide dihydrochloride
CID 43810708
(2S)-2-amino-3-methyl-1-(morpholin-4-yl)butan-1-one
CID 14963842
N-(2-methoxyethyl)-2-(4-methylpiperazin-1-yl)propanamide
CID 3229463
N-butan-2-yl-2-morpholin-4-ylacetamide
CID 17634927

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride?
The IUPAC name of (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride (CID 86690681) is (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride.
What is the SMILES notation for (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride?
The canonical SMILES for (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride is CC[C@H](N)C(=O)N1CCOCC1.Cl.
What is the InChIKey of (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride?
The InChIKey is RQGHDTWPROXKEX-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H16N2O2.ClH/c1-2-7(9)8(11)10-3-5-12-6-4-10;/h7H,2-6,9H2,1H3;1H/t7-;/m0./s1.
What are the key properties of (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride?
(2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-1-morpholin-4-ylbutan-1-one;hydrochloride is sourced from PubChem (CID 86690681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).