4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid

C10H18N2O5 — CID 55005595

IUPAC4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
SMILESCCOC(=O)NC(=O)CN(C)CCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-17-10(16)11-8(13)7-12(2)6-4-5-9(14)15/h3-7H2,1-2H3,(H,14,15)(H,11,13,16)
InChIKeyYLEANHYPHBDYLH-UHFFFAOYSA-N
MW246.26 g/mol
LogP0.06
Rot. Bonds7

About 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid

4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid (PubChem CID 55005595) has the molecular formula C10H18N2O5 and a molecular weight of 246.26 g/mol. Its IUPAC name is 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid.

Molecular Properties

Compound Name4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
PubChem CID55005595
Molecular FormulaC10H18N2O5
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid
SMILESCCOC(=O)NC(=O)CN(C)CCCC(=O)O
InChIInChI=1S/C10H18N2O5/c1-3-17-10(16)11-8(13)7-12(2)6-4-5-9(14)15/h3-7H2,1-2H3,(H,14,15)(H,11,13,16)
InChIKeyYLEANHYPHBDYLH-UHFFFAOYSA-N
XLogP0.06
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl N-[2-[3-hydroxybutyl(methyl)amino]acetyl]carbamate
CID 115665851
3-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]-2-methylpropanoic acid
CID 55007638
4-[[2-(heptan-2-ylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006561
4-[[2-[di(propan-2-yl)amino]-2-oxoethyl]-methylamino]butanoic acid
CID 55005699
ethyl 2-[methyl-[4-(methylamino)-4-oxobutyl]amino]acetate
CID 63892113
ethyl N-[2-[(1-hydroxycyclopentyl)methyl-methylamino]acetyl]carbamate
CID 115758309
4-[methyl(2-sulfamoylethyl)amino]butanoic acid
CID 114385348
3-[ethoxycarbonylsulfamoyl(methyl)amino]propanoic acid
CID 114462274
4-[methyl-[2-(3-methylbutylamino)-2-oxoethyl]amino]butanoic acid
CID 55005840
4-[[2-(cycloheptylamino)-2-oxoethyl]-methylamino]butanoic acid
CID 55006417
4-[[2-[2-aminoethyl(methyl)amino]acetyl]amino]butanoic acid
CID 62687929
3-[carboxymethyl(methyl)amino]propanoic acid
CID 54557646

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid?
The IUPAC name of 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid (CID 55005595) is 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid.
What is the SMILES notation for 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid?
The canonical SMILES for 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid is CCOC(=O)NC(=O)CN(C)CCCC(=O)O.
What is the InChIKey of 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid?
The InChIKey is YLEANHYPHBDYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O5/c1-3-17-10(16)11-8(13)7-12(2)6-4-5-9(14)15/h3-7H2,1-2H3,(H,14,15)(H,11,13,16).
What are the key properties of 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid?
4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid has a molecular weight of 246.26 g/mol, XLogP of 0.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(ethoxycarbonylamino)-2-oxoethyl]-methylamino]butanoic acid is sourced from PubChem (CID 55005595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).