methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate

C12H21NO4 — CID 51681554

IUPACmethyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H21NO4/c1-8(2)7-9(12(15)16-3)13-11(14)10-5-4-6-17-10/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyYRCSWYSGMNCOFZ-VHSXEESVSA-N
MW243.30 g/mol
LogP0.87
Rot. Bonds5

About methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate

methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate (PubChem CID 51681554) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate.

Molecular Properties

Compound Namemethyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
PubChem CID51681554
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Namemethyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
SMILESCOC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCO1
InChIInChI=1S/C12H21NO4/c1-8(2)7-9(12(15)16-3)13-11(14)10-5-4-6-17-10/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10+/m0/s1
InChIKeyYRCSWYSGMNCOFZ-VHSXEESVSA-N
XLogP0.87
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 51681555
methyl 4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate
CID 103849887
methyl 4-methyl-2-(oxane-2-carbonylamino)pentanoate
CID 55048092
(2R)-4-methyl-2-[[(2S)-oxolane-2-carbonyl]amino]pentanoic acid
CID 42255835
methyl 3-methyl-2-(oxolane-2-carbonylamino)butanoate
CID 19010953
(2R,5S)-5-[(1-methoxy-4-methyl-1-oxopentan-2-yl)carbamoyl]oxolane-2-carboxylic acid
CID 102944697
N-(1-chloro-4-methylpentan-2-yl)oxolane-2-carboxamide
CID 114300828
methyl (2S)-3,3-dimethyl-2-[[(2R)-oxolane-2-carbonyl]amino]butanoate
CID 96507792
N-(3-methylbutan-2-yl)oxolane-2-carboxamide
CID 17362643
N-[(2S)-2-amino-4-methylpentyl]oxolane-2-carboxamide
CID 70906725
(2R)-N-[(2S)-1-hydroxypropan-2-yl]oxolane-2-carboxamide
CID 39236427
methyl 4-methyl-2-[(4-methylcyclohexanecarbonyl)amino]pentanoate
CID 79005645

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate?
The IUPAC name of methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate (CID 51681554) is methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate.
What is the SMILES notation for methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate?
The canonical SMILES for methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate is COC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCCO1.
What is the InChIKey of methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate?
The InChIKey is YRCSWYSGMNCOFZ-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21NO4/c1-8(2)7-9(12(15)16-3)13-11(14)10-5-4-6-17-10/h8-10H,4-7H2,1-3H3,(H,13,14)/t9-,10+/m0/s1.
What are the key properties of methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate?
methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate has a molecular weight of 243.30 g/mol, XLogP of 0.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methyl-2-[[(2R)-oxolane-2-carbonyl]amino]pentanoate is sourced from PubChem (CID 51681554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).