4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid

C12H17N3O5 — CID 61471638

IUPAC4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCC(Cc1ccco1)NC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-7(5-8-3-2-4-20-8)14-12(19)15-9(11(17)18)6-10(13)16/h2-4,7,9H,5-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeySEYXLZKWRYPPSF-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.16
Rot. Bonds7

About 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid

4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 61471638) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
PubChem CID61471638
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
SMILESCC(Cc1ccco1)NC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H17N3O5/c1-7(5-8-3-2-4-20-8)14-12(19)15-9(11(17)18)6-10(13)16/h2-4,7,9H,5-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19)
InChIKeySEYXLZKWRYPPSF-UHFFFAOYSA-N
XLogP-0.16
TPSA134.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]pentanedioic acid
CID 61471226
(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
CID 63716616
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
(2R)-4-amino-2-[1-(5-methylthiophen-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 107828031
(2S)-4-amino-2-[(4-amino-4-oxobutan-2-yl)carbamoylamino]-4-oxobutanoic acid
CID 104870476
4-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-3-methylbutanoic acid
CID 81070013
2-ethyl-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]butanoic acid
CID 79803984
2-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]-3-methylbutanoic acid
CID 65223156
3-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2,2-dimethylpropanamide
CID 56796180
N-[1-(furan-2-yl)propan-2-yl]benzamide
CID 47148390
3,3,3-trifluoro-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-2-methylpropanoic acid
CID 79791930
3-[[1-(furan-2-yl)propan-2-ylcarbamoylamino]methyl]pentanoic acid
CID 81070085

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid (CID 61471638) is 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid is CC(Cc1ccco1)NC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is SEYXLZKWRYPPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-7(5-8-3-2-4-20-8)14-12(19)15-9(11(17)18)6-10(13)16/h2-4,7,9H,5-6H2,1H3,(H2,13,16)(H,17,18)(H2,14,15,19).
What are the key properties of 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid?
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 283.28 g/mol, XLogP of -0.16, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 61471638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).