2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid

C11H14N2O5 — CID 82042115

IUPAC2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C11H14N2O5/c14-9(12-6-8-2-1-5-18-8)3-4-10(15)13-7-11(16)17/h1-2,5H,3-4,6-7H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyUFAJTYUJYLWTBE-UHFFFAOYSA-N
MW254.24 g/mol
LogP-0.12
Rot. Bonds7

About 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid

2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid (PubChem CID 82042115) has the molecular formula C11H14N2O5 and a molecular weight of 254.24 g/mol. Its IUPAC name is 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
PubChem CID82042115
Molecular FormulaC11H14N2O5
Molecular Weight254.24 g/mol
Exact Mass254.09
IUPAC Name2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)CCC(=O)NCc1ccco1
InChIInChI=1S/C11H14N2O5/c14-9(12-6-8-2-1-5-18-8)3-4-10(15)13-7-11(16)17/h1-2,5H,3-4,6-7H2,(H,12,14)(H,13,15)(H,16,17)
InChIKeyUFAJTYUJYLWTBE-UHFFFAOYSA-N
XLogP-0.12
TPSA108.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(furan-2-ylmethyl)-3-hydroxypropanamide
CID 82111306
N'-(furan-2-ylmethyl)-N-propylbutanediamide
CID 4024516
N-butyl-N'-(furan-2-ylmethyl)butanediamide
CID 3970511
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
N-(furan-2-ylmethyl)acetamide
CID 2394850
N-(furan-2-ylmethyl)-2-pyrrol-1-ylacetamide
CID 110688542
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 18108046
N-(furan-2-ylmethyl)-4-oxo-4-piperidin-1-ylbutanamide
CID 865161
N-(furan-2-ylmethyl)-3,3-diphenylpropanamide
CID 2259031
N-[2-(furan-2-ylmethylamino)-2-oxoethyl]-4-thiophen-2-ylbutanamide
CID 31638154
4-(4-tert-butylphenyl)-N-(furan-2-ylmethyl)-4-oxobutanamide
CID 110297954

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid?
The IUPAC name of 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid (CID 82042115) is 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid?
The canonical SMILES for 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid is O=C(O)CNC(=O)CCC(=O)NCc1ccco1.
What is the InChIKey of 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid?
The InChIKey is UFAJTYUJYLWTBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5/c14-9(12-6-8-2-1-5-18-8)3-4-10(15)13-7-11(16)17/h1-2,5H,3-4,6-7H2,(H,12,14)(H,13,15)(H,16,17).
What are the key properties of 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid?
2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid has a molecular weight of 254.24 g/mol, XLogP of -0.12, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(furan-2-ylmethylamino)-4-oxobutanoyl]amino]acetic acid is sourced from PubChem (CID 82042115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).