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

C9H11NO5 — CID 106108034

IUPAC3-(furan-2-carbonylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C9H11NO5/c1-14-7(9(12)13)5-10-8(11)6-3-2-4-15-6/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyHHDSIJBMMKIEFL-UHFFFAOYSA-N
MW213.19 g/mol
LogP0.11
Rot. Bonds5

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

3-(furan-2-carbonylamino)-2-methoxypropanoic acid (PubChem CID 106108034) has the molecular formula C9H11NO5 and a molecular weight of 213.19 g/mol. Its IUPAC name is 3-(furan-2-carbonylamino)-2-methoxypropanoic acid.

Molecular Properties

Compound Name3-(furan-2-carbonylamino)-2-methoxypropanoic acid
PubChem CID106108034
Molecular FormulaC9H11NO5
Molecular Weight213.19 g/mol
Exact Mass213.06
IUPAC Name3-(furan-2-carbonylamino)-2-methoxypropanoic acid
SMILESCOC(CNC(=O)c1ccco1)C(=O)O
InChIInChI=1S/C9H11NO5/c1-14-7(9(12)13)5-10-8(11)6-3-2-4-15-6/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13)
InChIKeyHHDSIJBMMKIEFL-UHFFFAOYSA-N
XLogP0.11
TPSA88.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.19
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-3-(furan-2-carbonylamino)propanoic acid
CID 131866589
3-(furan-2-ylmethylcarbamoylamino)-2-methoxypropanoic acid
CID 106109550
N-[(2R)-2-methoxy-2-(5-methylthiophen-2-yl)ethyl]furan-2-carboxamide
CID 97417363
N-(4-hydroxy-2-methylpentyl)furan-2-carboxamide
CID 111447853
2-[(4-ethoxyphenyl)methyl]-3-(furan-2-carbonylamino)propanoic acid
CID 119232251
N-(2-cyclopropylpropyl)furan-2-carboxamide
CID 115591186
N-[(2S)-2-hydroxy-2-(1-methylpyrrol-2-yl)ethyl]furan-2-carboxamide
CID 95982442
N-(4-methoxybutyl)furan-2-carboxamide
CID 60769533
2-methoxy-3-[(2-phenylmethoxyacetyl)amino]propanoic acid
CID 106107823
N-(2,2,2-trichloro-1-methoxyethyl)furan-2-carboxamide
CID 3090290
N-[2-(dimethylamino)-2-(5-methylfuran-2-yl)ethyl]furan-2-carboxamide;hydrochloride
CID 146052539
2-methoxy-3-[(2-methylpyrazole-3-carbonyl)amino]propanoic acid
CID 106107552

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-carbonylamino)-2-methoxypropanoic acid?
The IUPAC name of 3-(furan-2-carbonylamino)-2-methoxypropanoic acid (CID 106108034) is 3-(furan-2-carbonylamino)-2-methoxypropanoic acid.
What is the SMILES notation for 3-(furan-2-carbonylamino)-2-methoxypropanoic acid?
The canonical SMILES for 3-(furan-2-carbonylamino)-2-methoxypropanoic acid is COC(CNC(=O)c1ccco1)C(=O)O.
What is the InChIKey of 3-(furan-2-carbonylamino)-2-methoxypropanoic acid?
The InChIKey is HHDSIJBMMKIEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5/c1-14-7(9(12)13)5-10-8(11)6-3-2-4-15-6/h2-4,7H,5H2,1H3,(H,10,11)(H,12,13).
What are the key properties of 3-(furan-2-carbonylamino)-2-methoxypropanoic acid?
3-(furan-2-carbonylamino)-2-methoxypropanoic acid has a molecular weight of 213.19 g/mol, XLogP of 0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-carbonylamino)-2-methoxypropanoic acid is sourced from PubChem (CID 106108034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).