2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid

C13H20N2O5 — CID 106450975

IUPAC2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid
SMILESCCCOCCNC(=O)NC(C)(C(=O)O)c1ccco1
InChIInChI=1S/C13H20N2O5/c1-3-7-19-9-6-14-12(18)15-13(2,11(16)17)10-5-4-8-20-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeySWZIKVGRSBAQGE-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.31
Rot. Bonds8

About 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid

2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid (PubChem CID 106450975) has the molecular formula C13H20N2O5 and a molecular weight of 284.31 g/mol. Its IUPAC name is 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid
PubChem CID106450975
Molecular FormulaC13H20N2O5
Molecular Weight284.31 g/mol
Exact Mass284.14
IUPAC Name2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid
SMILESCCCOCCNC(=O)NC(C)(C(=O)O)c1ccco1
InChIInChI=1S/C13H20N2O5/c1-3-7-19-9-6-14-12(18)15-13(2,11(16)17)10-5-4-8-20-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKeySWZIKVGRSBAQGE-UHFFFAOYSA-N
XLogP1.31
TPSA100.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(furan-2-yl)-2-(2-methylidenebutylcarbamoylamino)propanoic acid
CID 66045441
2-(but-2-ynylcarbamoylamino)-2-(furan-2-yl)propanoic acid
CID 62310733
(2S)-2-[(2,5-dimethylphenyl)methylcarbamoylamino]-2-(furan-2-yl)propanoic acid
CID 95151928
2-(2-ethoxyethylcarbamoylamino)-2-phenylpropanoic acid
CID 43457126
1-[2-(cyclopropylmethoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111480872
1-ethyl-2-[2-(furan-2-yl)-2-hydroxypropyl]-3-[2-(2-methoxyethoxy)ethyl]guanidine
CID 111672364
2-phenyl-2-(3-propoxypropanoylamino)propanoic acid
CID 62717159
2-(2-propoxyethylcarbamoylamino)acetic acid
CID 106450957
1-[2-(2,6-dimethylphenoxy)ethyl]-3-[2-(furan-2-yl)-2-hydroxypropyl]urea
CID 111479484
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(3-phenylpropyl)urea
CID 95983781
3,3,3-trifluoro-2-methyl-2-(3-propoxypropylcarbamoylamino)propanoic acid
CID 82944077
5-(furan-2-yl)-3-methyl-N-(2-propoxyethyl)-1,2-oxazole-4-carboxamide
CID 46097019

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid?
The IUPAC name of 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid (CID 106450975) is 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid is CCCOCCNC(=O)NC(C)(C(=O)O)c1ccco1.
What is the InChIKey of 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid?
The InChIKey is SWZIKVGRSBAQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O5/c1-3-7-19-9-6-14-12(18)15-13(2,11(16)17)10-5-4-8-20-10/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)(H2,14,15,18).
What are the key properties of 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid?
2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid has a molecular weight of 284.31 g/mol, XLogP of 1.31, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-2-(2-propoxyethylcarbamoylamino)propanoic acid is sourced from PubChem (CID 106450975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).