2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid

C10H14N2O4 — CID 61479193

IUPAC2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
SMILESCc1ccc(C(C)NC(=O)NCC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6-3-4-8(16-6)7(2)12-10(15)11-5-9(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyFCAAMAIAGPDGTM-UHFFFAOYSA-N
MW226.23 g/mol
LogP1.03
Rot. Bonds4

About 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid (PubChem CID 61479193) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid.

Molecular Properties

Compound Name2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
PubChem CID61479193
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Name2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid
SMILESCc1ccc(C(C)NC(=O)NCC(=O)O)o1
InChIInChI=1S/C10H14N2O4/c1-6-3-4-8(16-6)7(2)12-10(15)11-5-9(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)(H2,11,12,15)
InChIKeyFCAAMAIAGPDGTM-UHFFFAOYSA-N
XLogP1.03
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]propanoic acid
CID 54958457
2-methyl-5-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]pentanoic acid
CID 104686399
2-ethyl-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 79803748
(2S)-4-hydroxy-2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]butanoic acid
CID 107826832
methyl 7-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]heptanoate
CID 86993788
1-[(1R)-1-(5-methylfuran-2-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026796
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-(2-morpholin-4-ylethyl)urea
CID 94027153
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]hexanoic acid
CID 61478894
(3R)-3-(5-methylfuran-2-yl)butanoic acid
CID 28791563
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]-4-methylsulfanylbutanoic acid
CID 61478645
1-[(1S)-1-(5-methylfuran-2-yl)ethyl]-3-[2-(pyridin-2-ylamino)ethyl]urea
CID 94026735
methyl 2-methyl-5-[[1-(5-methylfuran-2-yl)ethylcarbamoylamino]methyl]furan-3-carboxylate
CID 51081982

Frequently Asked Questions

What is the IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid?
The IUPAC name of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid (CID 61479193) is 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid.
What is the SMILES notation for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid?
The canonical SMILES for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid is Cc1ccc(C(C)NC(=O)NCC(=O)O)o1.
What is the InChIKey of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid?
The InChIKey is FCAAMAIAGPDGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-6-3-4-8(16-6)7(2)12-10(15)11-5-9(13)14/h3-4,7H,5H2,1-2H3,(H,13,14)(H2,11,12,15).
What are the key properties of 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid?
2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid has a molecular weight of 226.23 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(5-methylfuran-2-yl)ethylcarbamoylamino]acetic acid is sourced from PubChem (CID 61479193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).