2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid

C10H13NO5 — CID 68697822

IUPAC2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
SMILESCCOC(=O)NC(Cc1ccco1)C(=O)O
InChIInChI=1S/C10H13NO5/c1-2-15-10(14)11-8(9(12)13)6-7-4-3-5-16-7/h3-5,8H,2,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNXCMKHXJXLCLKK-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.02
Rot. Bonds5

About 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid

2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid (PubChem CID 68697822) has the molecular formula C10H13NO5 and a molecular weight of 227.22 g/mol. Its IUPAC name is 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
PubChem CID68697822
Molecular FormulaC10H13NO5
Molecular Weight227.22 g/mol
Exact Mass227.08
IUPAC Name2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid
SMILESCCOC(=O)NC(Cc1ccco1)C(=O)O
InChIInChI=1S/C10H13NO5/c1-2-15-10(14)11-8(9(12)13)6-7-4-3-5-16-7/h3-5,8H,2,6H2,1H3,(H,11,14)(H,12,13)
InChIKeyNXCMKHXJXLCLKK-UHFFFAOYSA-N
XLogP1.02
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-(furan-2-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 2734631
ethyl N-[4-(furan-2-yl)butan-2-yl]carbamate
CID 60651451
(2R)-2-(furan-2-ylmethyl)-3-methoxy-3-oxopropanoic acid
CID 97184369
ethyl 2-amino-3-(furan-2-yl)propanoate
CID 22608494
ethyl N-[(1S)-1-(furan-2-yl)ethyl]carbamate
CID 81401192
ethyl N-[1-(furan-2-yl)ethyl]carbamate
CID 60660951
(2S)-3-(4-bromophenyl)-2-(ethoxycarbonylamino)propanoic acid
CID 174659281
methyl (2R)-2-benzamido-3-(furan-2-yl)propanoate
CID 14460596
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
ethyl 2-(aminomethyl)-3-(furan-2-yl)propanoate
CID 43148329
propyl 3-(furan-2-yl)-2-methylpropanoate
CID 175280714
(2S)-2-(ethoxycarbonylamino)-3-(4-fluorophenyl)propanoic acid;hydrochloride
CID 174493268

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid?
The IUPAC name of 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid (CID 68697822) is 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid.
What is the SMILES notation for 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid?
The canonical SMILES for 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid is CCOC(=O)NC(Cc1ccco1)C(=O)O.
What is the InChIKey of 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid?
The InChIKey is NXCMKHXJXLCLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5/c1-2-15-10(14)11-8(9(12)13)6-7-4-3-5-16-7/h3-5,8H,2,6H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid?
2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid has a molecular weight of 227.22 g/mol, XLogP of 1.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxycarbonylamino)-3-(furan-2-yl)propanoic acid is sourced from PubChem (CID 68697822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).