ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate

C14H28N2O3 — CID 79491699

IUPACethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(C)C)C(CC)CC
InChIInChI=1S/C14H28N2O3/c1-6-12(7-2)16(10-11(4)5)14(18)15-9-13(17)19-8-3/h11-12H,6-10H2,1-5H3,(H,15,18)
InChIKeyAMKMEURMDABLNS-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.41
Rot. Bonds8

About ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate

ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate (PubChem CID 79491699) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
PubChem CID79491699
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Nameethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate
SMILESCCOC(=O)CNC(=O)N(CC(C)C)C(CC)CC
InChIInChI=1S/C14H28N2O3/c1-6-12(7-2)16(10-11(4)5)14(18)15-9-13(17)19-8-3/h11-12H,6-10H2,1-5H3,(H,15,18)
InChIKeyAMKMEURMDABLNS-UHFFFAOYSA-N
XLogP2.41
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[[methyl(propan-2-yl)carbamoyl]amino]acetate
CID 43445755
ethyl 2-(diethylcarbamoylamino)acetate
CID 43385178
ethyl 2-[[3,3-dimethylbutan-2-yl(methyl)carbamoyl]amino]acetate
CID 54948885
2-[2-[2-methylpropyl(pentan-3-yl)amino]-2-oxoethoxy]acetic acid
CID 79484032
ethyl 2-[[methyl(2-methylbutan-2-yl)carbamoyl]amino]acetate
CID 63960119
(2-ethoxy-2-oxoethyl)carbamic acid
CID 18800943
(2-ethoxy-2-oxoethyl) 2-acetamidoacetate
CID 4227127
(2S,3S)-2-amino-3-methyl-N-(2-methylpropyl)-N-pentan-3-ylpentanamide
CID 79491812
ethyl 2-[(3-methyl-2-oxobutanoyl)amino]acetate
CID 157113144
2-[ethoxycarbonyl(2-methylpropyl)amino]butanoic acid
CID 134524402
(2R)-2-amino-3,3-dimethyl-N-(2-methylpropyl)-N-pentan-3-ylbutanamide
CID 103930183
ethyl 2-[1-(dimethylamino)propan-2-ylcarbamoylamino]acetate
CID 11806511

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate (CID 79491699) is ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate is CCOC(=O)CNC(=O)N(CC(C)C)C(CC)CC.
What is the InChIKey of ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate?
The InChIKey is AMKMEURMDABLNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-6-12(7-2)16(10-11(4)5)14(18)15-9-13(17)19-8-3/h11-12H,6-10H2,1-5H3,(H,15,18).
What are the key properties of ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate?
ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate has a molecular weight of 272.39 g/mol, XLogP of 2.41, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-methylpropyl(pentan-3-yl)carbamoyl]amino]acetate is sourced from PubChem (CID 79491699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).