methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate

C14H25NO4 — CID 167817612

IUPACmethyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)N(C)C(=O)C1CCCOC1
InChIInChI=1S/C14H25NO4/c1-10(2)8-12(14(17)18-4)15(3)13(16)11-6-5-7-19-9-11/h10-12H,5-9H2,1-4H3/t11?,12-/m0/s1
InChIKeyUOHBJKJHFPZWHE-KIYNQFGBSA-N
MW271.36 g/mol
LogP1.46
Rot. Bonds5

About methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate

methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate (PubChem CID 167817612) has the molecular formula C14H25NO4 and a molecular weight of 271.36 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate
PubChem CID167817612
Molecular FormulaC14H25NO4
Molecular Weight271.36 g/mol
Exact Mass271.18
IUPAC Namemethyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)N(C)C(=O)C1CCCOC1
InChIInChI=1S/C14H25NO4/c1-10(2)8-12(14(17)18-4)15(3)13(16)11-6-5-7-19-9-11/h10-12H,5-9H2,1-4H3/t11?,12-/m0/s1
InChIKeyUOHBJKJHFPZWHE-KIYNQFGBSA-N
XLogP1.46
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-hydroxypropan-2-yl)-N-methyloxane-3-carboxamide
CID 109388602
N-(2-amino-1-cyclopropylethyl)-N-methyloxane-3-carboxamide
CID 116651608
methyl 2-amino-4-(oxan-3-yl)-4-oxobutanoate
CID 105468455
methyl (3R)-oxane-3-carboxylate
CID 86306897
N-(3-amino-3-sulfanylidenepropyl)-N-(2-methylpropyl)oxane-3-carboxamide
CID 55151618
methyl 2-(oxan-3-yl)prop-2-enoate
CID 117266894
N-[(2R)-1-aminopropan-2-yl]oxane-3-carboxamide
CID 104873146
2-[butan-2-yl(oxane-3-carbonyl)amino]acetic acid
CID 55110283
(2R)-2-amino-N-[(3S,4R)-3-hydroxyoxepan-4-yl]-4-methylpentanamide
CID 59921664
N-(3-amino-2-methylpropyl)oxane-3-carboxamide
CID 63011321
tert-butyl 2-methyl-3-(oxan-3-yl)-3-oxopropanoate
CID 66339260
4-methoxy-3-methyl-1-(oxan-3-yl)butan-1-one
CID 107138525

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate (CID 167817612) is methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate is COC(=O)[C@H](CC(C)C)N(C)C(=O)C1CCCOC1.
What is the InChIKey of methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate?
The InChIKey is UOHBJKJHFPZWHE-KIYNQFGBSA-N. The full InChI is InChI=1S/C14H25NO4/c1-10(2)8-12(14(17)18-4)15(3)13(16)11-6-5-7-19-9-11/h10-12H,5-9H2,1-4H3/t11?,12-/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate?
methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate has a molecular weight of 271.36 g/mol, XLogP of 1.46, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[methyl(oxane-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 167817612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).