3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid

C10H14N2O5 — CID 106109550

IUPAC3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C10H14N2O5/c1-16-8(9(13)14)6-12-10(15)11-5-7-3-2-4-17-7/h2-4,8H,5-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyLTDIGLYETFIANP-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.18
Rot. Bonds6

About 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid

3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid (PubChem CID 106109550) has the molecular formula C10H14N2O5 and a molecular weight of 242.23 g/mol. Its IUPAC name is 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
PubChem CID106109550
Molecular FormulaC10H14N2O5
Molecular Weight242.23 g/mol
Exact Mass242.09
IUPAC Name3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C10H14N2O5/c1-16-8(9(13)14)6-12-10(15)11-5-7-3-2-4-17-7/h2-4,8H,5-6H2,1H3,(H,13,14)(H2,11,12,15)
InChIKeyLTDIGLYETFIANP-UHFFFAOYSA-N
XLogP0.18
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978
2-[(furan-2-ylmethylcarbamoylamino)methyl]pentanoic acid
CID 65218028
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
1-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-(furan-2-ylmethyl)urea
CID 134056891
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
(2S)-2-[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]oxypropanoic acid
CID 104876319
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
1-(furan-2-ylmethyl)-3-[(4-methylphenyl)methyl]urea
CID 17399631
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid (CID 106109550) is 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid is COC(CNC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid?
The InChIKey is LTDIGLYETFIANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O5/c1-16-8(9(13)14)6-12-10(15)11-5-7-3-2-4-17-7/h2-4,8H,5-6H2,1H3,(H,13,14)(H2,11,12,15).
What are the key properties of 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid?
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid has a molecular weight of 242.23 g/mol, XLogP of 0.18, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106109550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).