(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide

C11H21N3O4S — CID 87588859

IUPAC(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
SMILESCC(C)(SCC(=O)N1CCOCC1)[C@@H](N)C(=O)NO
InChIInChI=1S/C11H21N3O4S/c1-11(2,9(12)10(16)13-17)19-7-8(15)14-3-5-18-6-4-14/h9,17H,3-7,12H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeySLLVJWWDPDACRR-VIFPVBQESA-N
MW291.37 g/mol
LogP-0.81
Rot. Bonds5

About (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide

(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide (PubChem CID 87588859) has the molecular formula C11H21N3O4S and a molecular weight of 291.37 g/mol. Its IUPAC name is (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
PubChem CID87588859
Molecular FormulaC11H21N3O4S
Molecular Weight291.37 g/mol
Exact Mass291.13
IUPAC Name(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide
SMILESCC(C)(SCC(=O)N1CCOCC1)[C@@H](N)C(=O)NO
InChIInChI=1S/C11H21N3O4S/c1-11(2,9(12)10(16)13-17)19-7-8(15)14-3-5-18-6-4-14/h9,17H,3-7,12H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeySLLVJWWDPDACRR-VIFPVBQESA-N
XLogP-0.81
TPSA104.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.37
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-methyl-3-(4-morpholin-4-yl-4-oxobutyl)sulfanylbutanoic acid
CID 106442289
2-(3-methylpentan-3-ylamino)-1-morpholin-4-ylethanone
CID 103746720
2-(2-amino-2-methylpropyl)sulfanyl-1-morpholin-4-ylethanone
CID 66231125
2-methyl-2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanamide
CID 61218287
3-amino-3-methyl-1-morpholin-4-ylbutan-1-one
CID 64685110
2,2-dimethyl-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
CID 47009992
N-methoxy-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 60700799
3-methyl-3-(methylamino)-1-morpholin-4-ylbutan-1-one
CID 110838241
3,3-dimethyl-1-(1,4-oxazepan-4-yl)butan-1-one
CID 58395315
2-[(2-hydroxy-2-methylpentyl)amino]-1-morpholin-4-ylethanone
CID 114169442
2-(disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
N-(3-hydroxy-2,3-dimethylbutan-2-yl)-2-(2-morpholin-4-yl-2-oxoethyl)sulfanylacetamide
CID 103895247

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The IUPAC name of (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide (CID 87588859) is (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide.
What is the SMILES notation for (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The canonical SMILES for (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide is CC(C)(SCC(=O)N1CCOCC1)[C@@H](N)C(=O)NO.
What is the InChIKey of (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
The InChIKey is SLLVJWWDPDACRR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H21N3O4S/c1-11(2,9(12)10(16)13-17)19-7-8(15)14-3-5-18-6-4-14/h9,17H,3-7,12H2,1-2H3,(H,13,16)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide?
(2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide has a molecular weight of 291.37 g/mol, XLogP of -0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-hydroxy-3-methyl-3-(2-morpholin-4-yl-2-oxoethyl)sulfanylbutanamide is sourced from PubChem (CID 87588859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).