(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid

C11H15N3O5 — CID 83195218

IUPAC(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@H](NCC(=O)NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-7(10(16)17)12-6-9(15)14-11(18)13-5-8-3-2-4-19-8/h2-4,7,12H,5-6H2,1H3,(H,16,17)(H2,13,14,15,18)/t7-/m0/s1
InChIKeyYGYBRGKKDFOFLE-ZETCQYMHSA-N
MW269.26 g/mol
LogP-0.33
Rot. Bonds6

About (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid

(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid (PubChem CID 83195218) has the molecular formula C11H15N3O5 and a molecular weight of 269.26 g/mol. Its IUPAC name is (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
PubChem CID83195218
Molecular FormulaC11H15N3O5
Molecular Weight269.26 g/mol
Exact Mass269.10
IUPAC Name(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
SMILESC[C@H](NCC(=O)NC(=O)NCc1ccco1)C(=O)O
InChIInChI=1S/C11H15N3O5/c1-7(10(16)17)12-6-9(15)14-11(18)13-5-8-3-2-4-19-8/h2-4,7,12H,5-6H2,1H3,(H,16,17)(H2,13,14,15,18)/t7-/m0/s1
InChIKeyYGYBRGKKDFOFLE-ZETCQYMHSA-N
XLogP-0.33
TPSA120.67 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
2-(benzhydrylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 7971062
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
2-[[(1S)-1-(2-chlorophenyl)ethyl]amino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 9306254
N-(furan-2-ylmethylcarbamoyl)-2-[[(R)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9391859
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
CID 62637062
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
N-(furan-2-ylmethyl)-2-[[2-oxo-2-(propylamino)ethyl]amino]propanamide
CID 43401459
[(1S)-1-(furan-2-yl)ethyl]-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]azanium
CID 8919816
1-(furan-2-ylmethyl)-3-propan-2-ylurea
CID 819269
2-[[2-(cyclopropylamino)-2-oxoethyl]amino]-N-(furan-2-ylmethyl)propanamide
CID 43401424
2-(3-acetylanilino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 18096587

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid (CID 83195218) is (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid is C[C@H](NCC(=O)NC(=O)NCc1ccco1)C(=O)O.
What is the InChIKey of (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
The InChIKey is YGYBRGKKDFOFLE-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15N3O5/c1-7(10(16)17)12-6-9(15)14-11(18)13-5-8-3-2-4-19-8/h2-4,7,12H,5-6H2,1H3,(H,16,17)(H2,13,14,15,18)/t7-/m0/s1.
What are the key properties of (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid?
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid has a molecular weight of 269.26 g/mol, XLogP of -0.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid is sourced from PubChem (CID 83195218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).