(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid

C11H15N3O5 — CID 63716616

IUPAC(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)NCCc1ccco1)C(=O)O
InChIInChI=1S/C11H15N3O5/c12-9(15)6-8(10(16)17)14-11(18)13-4-3-7-2-1-5-19-7/h1-2,5,8H,3-4,6H2,(H2,12,15)(H,16,17)(H2,13,14,18)/t8-/m0/s1
InChIKeyGOGNHGVKQVRHDM-QMMMGPOBSA-N
MW269.26 g/mol
LogP-0.55
Rot. Bonds7

About (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid

(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid (PubChem CID 63716616) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid.

Molecular Properties

Compound Name(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
PubChem CID63716616
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid
SMILESNC(=O)C[C@H](NC(=O)NCCc1ccco1)C(=O)O
InChIInChI=1S/C11H15N3O5/c12-9(15)6-8(10(16)17)14-11(18)13-4-3-7-2-1-5-19-7/h1-2,5,8H,3-4,6H2,(H2,12,15)(H,16,17)(H2,13,14,18)/t8-/m0/s1
InChIKeyGOGNHGVKQVRHDM-QMMMGPOBSA-N
XLogP-0.55
TPSA134.66 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(furan-2-yl)ethylcarbamoylamino]propanoic acid
CID 61471341
4-amino-2-[1-(furan-2-yl)propan-2-ylcarbamoylamino]-4-oxobutanoic acid
CID 61471638
(2S)-4-amino-4-oxo-2-(2-pyridin-2-ylethylcarbamoylamino)butanoic acid
CID 63714896
(2R)-4-amino-2-[[furan-2-ylmethyl(methyl)carbamoyl]amino]-4-oxobutanoic acid
CID 107826195
(2S)-2-amino-N-[2-(furan-2-yl)ethyl]propanamide
CID 61147120
4-amino-2-(benzylcarbamoylamino)-4-oxobutanoic acid
CID 61183397
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735
(2S)-5-amino-2-[3-(furan-2-yl)propanoylamino]-5-oxopentanoic acid
CID 28779213
1-[2-(furan-2-yl)ethyl]-3-[(R)-phenyl(pyridin-4-yl)methyl]urea
CID 95312794
5-[2-(furan-2-yl)ethylamino]-3-methyl-5-oxopentanoic acid
CID 55155984
(2S)-2-(furan-2-ylmethylcarbamoylamino)-4-hydroxybutanoic acid
CID 107825520
4-amino-2-[(2-aminophenyl)carbamoylamino]-4-oxobutanoic acid
CID 61404827

Frequently Asked Questions

What is the IUPAC name of (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The IUPAC name of (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid (CID 63716616) is (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid.
What is the SMILES notation for (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The canonical SMILES for (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid is NC(=O)C[C@H](NC(=O)NCCc1ccco1)C(=O)O.
What is the InChIKey of (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
The InChIKey is GOGNHGVKQVRHDM-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H15N3O5/c12-9(15)6-8(10(16)17)14-11(18)13-4-3-7-2-1-5-19-7/h1-2,5,8H,3-4,6H2,(H2,12,15)(H,16,17)(H2,13,14,18)/t8-/m0/s1.
What are the key properties of (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid?
(2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.55, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-amino-2-[2-(furan-2-yl)ethylcarbamoylamino]-4-oxobutanoic acid is sourced from PubChem (CID 63716616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).