2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid

C15H24N2O4 — CID 62821164

IUPAC2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N(C)Cc1ccc(C)o1)C(C)(C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-6-17(15(3,4)14(19)20)10-13(18)16(5)9-12-8-7-11(2)21-12/h7-8H,6,9-10H2,1-5H3,(H,19,20)
InChIKeyOWCAEYWCRGNBRY-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.73
Rot. Bonds7

About 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid

2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid (PubChem CID 62821164) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid
PubChem CID62821164
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid
SMILESCCN(CC(=O)N(C)Cc1ccc(C)o1)C(C)(C)C(=O)O
InChIInChI=1S/C15H24N2O4/c1-6-17(15(3,4)14(19)20)10-13(18)16(5)9-12-8-7-11(2)21-12/h7-8H,6,9-10H2,1-5H3,(H,19,20)
InChIKeyOWCAEYWCRGNBRY-UHFFFAOYSA-N
XLogP1.73
TPSA73.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 78964773
2-methyl-2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]propanoic acid
CID 65263837
2-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]-2-oxoethyl]-ethylamino]-2-methylpropanoic acid
CID 62820318
2-methyl-4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxo-2-propan-2-ylbutanoic acid
CID 43526164
tert-butyl 4-[methyl-[(5-methylfuran-2-yl)methyl]amino]-4-oxobutanoate
CID 106707019
methyl-[(5-methylfuran-2-yl)methyl]carbamothioic S-acid
CID 115170193
methyl 2-[[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]-propylamino]acetate
CID 62011760
3-(4-ethylphenyl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 78794973
(2S)-2-amino-3-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]sulfanylpropanoic acid
CID 93031307
2-amino-N,3,3-trimethyl-N-[(5-methylfuran-2-yl)methyl]butanamide
CID 76893225
3-cyano-N-methyl-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 115173902
N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(2-methylphenyl)acetamide
CID 78791590

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid (CID 62821164) is 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid is CCN(CC(=O)N(C)Cc1ccc(C)o1)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
The InChIKey is OWCAEYWCRGNBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-6-17(15(3,4)14(19)20)10-13(18)16(5)9-12-8-7-11(2)21-12/h7-8H,6,9-10H2,1-5H3,(H,19,20).
What are the key properties of 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid?
2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid has a molecular weight of 296.37 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-[2-[methyl-[(5-methylfuran-2-yl)methyl]amino]-2-oxoethyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 62821164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).