(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid

C11H15NO5 — CID 104876319

IUPAC(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCC(O[C@@H](C)C(=O)O)C(=O)NCc1ccco1
InChIInChI=1S/C11H15NO5/c1-7(17-8(2)11(14)15)10(13)12-6-9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyFPPTZXCOHFWSHM-MQWKRIRWSA-N
MW241.24 g/mol
LogP0.77
Rot. Bonds6

About (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid

(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid (PubChem CID 104876319) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid.

Molecular Properties

Compound Name(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
PubChem CID104876319
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
SMILESCC(O[C@@H](C)C(=O)O)C(=O)NCc1ccco1
InChIInChI=1S/C11H15NO5/c1-7(17-8(2)11(14)15)10(13)12-6-9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1
InChIKeyFPPTZXCOHFWSHM-MQWKRIRWSA-N
XLogP0.77
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)acetamide
CID 2394850
(2S)-2-(4-fluorophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 26909573
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
2-(2-bromophenoxy)-N-(furan-2-ylmethyl)propanamide
CID 17173386
N-(furan-2-ylmethyl)-2-(3-methoxyphenoxy)propanamide
CID 19203901
N-(furan-2-ylmethyl)-2-[4-(1-hydroxyethyl)phenoxy]propanamide
CID 43503670
(2R)-2-(4-tert-butylphenoxy)-N-(furan-2-ylmethyl)propanamide
CID 973402
4-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxycyclohexane-1-carboxylic acid
CID 114451272
2-[(6-formyl-3-pyridinyl)oxy]-N-(furan-2-ylmethyl)propanamide
CID 79794769
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The IUPAC name of (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid (CID 104876319) is (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid.
What is the SMILES notation for (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The canonical SMILES for (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid is CC(O[C@@H](C)C(=O)O)C(=O)NCc1ccco1.
What is the InChIKey of (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
The InChIKey is FPPTZXCOHFWSHM-MQWKRIRWSA-N. The full InChI is InChI=1S/C11H15NO5/c1-7(17-8(2)11(14)15)10(13)12-6-9-4-3-5-16-9/h3-5,7-8H,6H2,1-2H3,(H,12,13)(H,14,15)/t7?,8-/m0/s1.
What are the key properties of (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid?
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.77, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid is sourced from PubChem (CID 104876319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).