2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid

C12H17N3O5 — CID 62637062

IUPAC2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C12H17N3O5/c1-8(11(17)18)15(2)7-10(16)14-12(19)13-6-9-4-3-5-20-9/h3-5,8H,6-7H2,1-2H3,(H,17,18)(H2,13,14,16,19)
InChIKeyQQFHJNTZYCLHCI-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.01
Rot. Bonds6

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

2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid (PubChem CID 62637062) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
PubChem CID62637062
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Name2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid
SMILESCC(C(=O)O)N(C)CC(=O)NC(=O)NCc1ccco1
InChIInChI=1S/C12H17N3O5/c1-8(11(17)18)15(2)7-10(16)14-12(19)13-6-9-4-3-5-20-9/h3-5,8H,6-7H2,1-2H3,(H,17,18)(H2,13,14,16,19)
InChIKeyQQFHJNTZYCLHCI-UHFFFAOYSA-N
XLogP0.01
TPSA111.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(furan-2-ylmethylcarbamoyl)-2-[N-(2-hydroxypropyl)anilino]acetamide
CID 51106343
(2S)-2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]propanoic acid
CID 83195218
2-(dipropylamino)-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 43061736
ethyl 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]acetate
CID 62011616
2-(furan-2-ylmethylcarbamoylamino)propanoic acid
CID 4273789
N-(furan-2-ylmethylcarbamoyl)-2-[2-hydroxyethyl(propyl)amino]acetamide
CID 60691736
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]pentanoic acid
CID 43631411
[(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
N-(4-acetamidophenyl)-2-[ethyl-[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 8779537
2-[(4-ethoxyphenyl)methyl-methylamino]-N-(furan-2-ylmethylcarbamoyl)acetamide
CID 4818761
2-[2-aminoethyl(methyl)amino]-N-(furan-2-ylmethyl)propanamide
CID 61348725

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
The IUPAC name of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid (CID 62637062) is 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid.
What is the SMILES notation for 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
The canonical SMILES for 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid is CC(C(=O)O)N(C)CC(=O)NC(=O)NCc1ccco1.
What is the InChIKey of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
The InChIKey is QQFHJNTZYCLHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-8(11(17)18)15(2)7-10(16)14-12(19)13-6-9-4-3-5-20-9/h3-5,8H,6-7H2,1-2H3,(H,17,18)(H2,13,14,16,19).
What are the key properties of 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid?
2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid has a molecular weight of 283.28 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(furan-2-ylmethylcarbamoylamino)-2-oxoethyl]-methylamino]propanoic acid is sourced from PubChem (CID 62637062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).