(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid

C13H17NO5 — CID 102944233

IUPAC(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)o1
InChIInChI=1S/C13H17NO5/c1-8-3-4-9(18-8)7-14(2)12(15)10-5-6-11(19-10)13(16)17/h3-4,10-11H,5-7H2,1-2H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyRGWSKRUMIUICPZ-WDEREUQCSA-N
MW267.28 g/mol
LogP1.18
Rot. Bonds4

About (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid

(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid (PubChem CID 102944233) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid.

Molecular Properties

Compound Name(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
PubChem CID102944233
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
SMILESCc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)o1
InChIInChI=1S/C13H17NO5/c1-8-3-4-9(18-8)7-14(2)12(15)10-5-6-11(19-10)13(16)17/h3-4,10-11H,5-7H2,1-2H3,(H,16,17)/t10-,11+/m0/s1
InChIKeyRGWSKRUMIUICPZ-WDEREUQCSA-N
XLogP1.18
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-hydroxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688209
(2R,5S)-5-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102944535
5-[(3,5-dichlorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688168
5-[(3,4-difluorophenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102688105
N-methyl-N-[(5-methylfuran-2-yl)methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119956917
2-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119958218
4-[[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 61199226
(2R,5S)-5-[(2-methoxyphenyl)methyl-methylcarbamoyl]oxolane-2-carboxylic acid
CID 102944496
5-[methyl-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamoyl]oxolane-2-carboxylic acid
CID 102688383
3-amino-N-methyl-N-[(5-methylfuran-2-yl)methyl]cyclohexane-1-carboxamide
CID 63043755
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
(3S)-3-N-methyl-3-N-[(5-methylfuran-2-yl)methyl]piperidine-1,3-dicarboxamide
CID 94393772

Frequently Asked Questions

What is the IUPAC name of (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The IUPAC name of (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid (CID 102944233) is (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid.
What is the SMILES notation for (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The canonical SMILES for (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid is Cc1ccc(CN(C)C(=O)[C@@H]2CC[C@H](C(=O)O)O2)o1.
What is the InChIKey of (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
The InChIKey is RGWSKRUMIUICPZ-WDEREUQCSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-3-4-9(18-8)7-14(2)12(15)10-5-6-11(19-10)13(16)17/h3-4,10-11H,5-7H2,1-2H3,(H,16,17)/t10-,11+/m0/s1.
What are the key properties of (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid?
(2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,5S)-5-[methyl-[(5-methylfuran-2-yl)methyl]carbamoyl]oxolane-2-carboxylic acid is sourced from PubChem (CID 102944233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).