5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid

C13H17NO5 — CID 129467906

IUPAC5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)O)o2)CCO1
InChIInChI=1S/C13H17NO5/c1-8-6-9(4-5-18-8)12(15)14-7-10-2-3-11(19-10)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m1/s1
InChIKeyPKZVLILONLCVDK-RKDXNWHRSA-N
MW267.28 g/mol
LogP1.41
Rot. Bonds4

About 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid

5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid (PubChem CID 129467906) has the molecular formula C13H17NO5 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
PubChem CID129467906
Molecular FormulaC13H17NO5
Molecular Weight267.28 g/mol
Exact Mass267.11
IUPAC Name5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid
SMILESC[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)O)o2)CCO1
InChIInChI=1S/C13H17NO5/c1-8-6-9(4-5-18-8)12(15)14-7-10-2-3-11(19-10)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m1/s1
InChIKeyPKZVLILONLCVDK-RKDXNWHRSA-N
XLogP1.41
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

5-Morpholin-4-ylmethyl-furan-2-carboxylic acid
CID 580530
5-[(4-Methoxy-benzoylamino)-methyl]-furan-2-carboxylic acid
CID 976896
5-(Hydroxymethyl-2-furoyl)glycine
CID 6537488
5-((Piperidin-1-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 2836318
Furoyl-Leucine
CID 774282
2-((5-Methylfuran-2-carbonyl)amino)acetic acid
CID 178938
5-[(4-methylphenoxy)methyl]-N-propyl-2-furamide
CID 2200397
4-[(5-Methyl-furan-2-carbonyl)-amino]-butyric acid
CID 573299
5-{[(2-Methyl-furan-3-carbonyl)-amino]-methyl}-furan-2-carboxylic acid
CID 573328
Ethyl 5-{[({2-[(2,2,2-trifluoroethoxy)carbonyl]cyclohexyl}carbonyl)amino]methyl}-2-furoate
CID 3241365
5-{[(2,5-Dimethyl-furan-3-carbonyl)-amino]-methyl}-furan-2-carboxylic acid
CID 844970
5-((Morpholin-4-yl)methyl)furan-2-carboxylic acid hydrochloride
CID 5331361

Frequently Asked Questions

What is the IUPAC name of 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid (CID 129467906) is 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid is C[C@@H]1C[C@H](C(=O)NCc2ccc(C(=O)O)o2)CCO1.
What is the InChIKey of 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
The InChIKey is PKZVLILONLCVDK-RKDXNWHRSA-N. The full InChI is InChI=1S/C13H17NO5/c1-8-6-9(4-5-18-8)12(15)14-7-10-2-3-11(19-10)13(16)17/h2-3,8-9H,4-7H2,1H3,(H,14,15)(H,16,17)/t8-,9-/m1/s1.
What are the key properties of 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid?
5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[[(2R,4R)-2-methyloxane-4-carbonyl]amino]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 129467906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).