[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid

C11H20N2O4 — CID 175945134

IUPAC[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
SMILESCC(C)C[C@H](NC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-8(2)7-9(12-11(15)16)10(14)13-3-5-17-6-4-13/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyONPQJYWRMKJFMN-VIFPVBQESA-N
MW244.29 g/mol
LogP0.53
Rot. Bonds4

About [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid

[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid (PubChem CID 175945134) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
PubChem CID175945134
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Name[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid
SMILESCC(C)C[C@H](NC(=O)O)C(=O)N1CCOCC1
InChIInChI=1S/C11H20N2O4/c1-8(2)7-9(12-11(15)16)10(14)13-3-5-17-6-4-13/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t9-/m0/s1
InChIKeyONPQJYWRMKJFMN-VIFPVBQESA-N
XLogP0.53
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-4-methyl-1-(4-methylpiperazin-1-yl)-1-oxopentan-2-yl]morpholine-4-carboxamide
CID 110285714
[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]carbamic acid
CID 67759315
2-methyl-N-[(2R)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]benzamide
CID 2712218
(2R)-4-methyl-2-[(4-morpholin-4-yl-4-oxobutanoyl)amino]pentanoic acid
CID 119363098
2-(4-methoxyphenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]acetamide
CID 110285557
tert-butyl N-[3-methyl-1-[(4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl)amino]-1-oxobutan-2-yl]carbamate
CID 110625600
4-methyl-2-(1,4-oxazepane-4-carbonylamino)pentanoic acid
CID 62969212
N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110313232
2-(4-methylpentan-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 43372158
4-(4-chlorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305687
4-(4-fluorophenyl)-N-[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]-4-oxobutanamide
CID 110305686
(2S)-4-methyl-2-[(2-morpholin-4-ylacetyl)amino]pentanoic acid
CID 90040549

Frequently Asked Questions

What is the IUPAC name of [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid?
The IUPAC name of [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid (CID 175945134) is [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid.
What is the SMILES notation for [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid?
The canonical SMILES for [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid is CC(C)C[C@H](NC(=O)O)C(=O)N1CCOCC1.
What is the InChIKey of [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid?
The InChIKey is ONPQJYWRMKJFMN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2O4/c1-8(2)7-9(12-11(15)16)10(14)13-3-5-17-6-4-13/h8-9,12H,3-7H2,1-2H3,(H,15,16)/t9-/m0/s1.
What are the key properties of [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid?
[(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid has a molecular weight of 244.29 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-4-methyl-1-morpholin-4-yl-1-oxopentan-2-yl]carbamic acid is sourced from PubChem (CID 175945134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).