2-(furan-2-ylmethylcarbamoylamino)propanoic acid

C9H12N2O4 — CID 4273789

IUPAC2-(furan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h2-4,6H,5H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyGPGCKKXFGOADOU-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.55
Rot. Bonds4

About 2-(furan-2-ylmethylcarbamoylamino)propanoic acid

2-(furan-2-ylmethylcarbamoylamino)propanoic acid (PubChem CID 4273789) has the molecular formula C9H12N2O4 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(furan-2-ylmethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethylcarbamoylamino)propanoic acid
PubChem CID4273789
Molecular FormulaC9H12N2O4
Molecular Weight212.21 g/mol
Exact Mass212.08
IUPAC Name2-(furan-2-ylmethylcarbamoylamino)propanoic acid
SMILESCC(NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C9H12N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h2-4,6H,5H2,1H3,(H,12,13)(H2,10,11,14)
InChIKeyGPGCKKXFGOADOU-UHFFFAOYSA-N
XLogP0.55
TPSA91.57 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
methyl 2-(furan-2-ylmethylcarbamoylamino)propanoate
CID 4265713
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-(furan-2-ylmethylcarbamoylamino)pentanoic acid
CID 61188799
2-(furan-2-ylmethylcarbamoylamino)-2-phenylacetic acid
CID 61188974
2-(furan-2-ylmethylcarbamoylamino)pentanedioic acid
CID 61189328
(2S)-2-(furan-2-ylmethylcarbamoylamino)-3-phenylpropanoic acid
CID 938813
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
1-(furan-2-ylmethyl)-3-(4-hydroxy-2-methylbutyl)urea
CID 111470946
2-[(furan-2-ylmethylcarbamoylamino)methyl]butanoic acid
CID 65217978

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(furan-2-ylmethylcarbamoylamino)propanoic acid (CID 4273789) is 2-(furan-2-ylmethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(furan-2-ylmethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(furan-2-ylmethylcarbamoylamino)propanoic acid is CC(NC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of 2-(furan-2-ylmethylcarbamoylamino)propanoic acid?
The InChIKey is GPGCKKXFGOADOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O4/c1-6(8(12)13)11-9(14)10-5-7-3-2-4-15-7/h2-4,6H,5H2,1H3,(H,12,13)(H2,10,11,14).
What are the key properties of 2-(furan-2-ylmethylcarbamoylamino)propanoic acid?
2-(furan-2-ylmethylcarbamoylamino)propanoic acid has a molecular weight of 212.21 g/mol, XLogP of 0.55, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 4273789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).