(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid

C11H20N2O6 — CID 78971735

IUPAC(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCCOC(=O)CN(CCOC)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-4-19-9(14)7-13(5-6-18-3)11(17)12-8(2)10(15)16/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeySPZGIJWZRBXEJP-QMMMGPOBSA-N
MW276.29 g/mol
LogP-0.32
Rot. Bonds8

About (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid

(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid (PubChem CID 78971735) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
PubChem CID78971735
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
SMILESCCOC(=O)CN(CCOC)C(=O)N[C@@H](C)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-4-19-9(14)7-13(5-6-18-3)11(17)12-8(2)10(15)16/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1
InChIKeySPZGIJWZRBXEJP-QMMMGPOBSA-N
XLogP-0.32
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839122
2-[(1-amino-1-oxopropan-2-yl)carbamoyl-(2-methoxyethyl)amino]acetic acid
CID 79272265
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-hydroxypropanoic acid
CID 55002240
(2R)-2-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-3-methylbutanoic acid
CID 79009643
ethyl 2-[2-methoxyethyl(prop-2-enoyl)amino]acetate
CID 60948673
2-[3-ethylpentan-2-ylcarbamoyl(2-methoxyethyl)amino]acetic acid
CID 79271931
ethyl 2-[2-(aminomethyl)butanoyl-(2-methoxyethyl)amino]acetate
CID 65227093

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid (CID 78971735) is (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid is CCOC(=O)CN(CCOC)C(=O)N[C@@H](C)C(=O)O.
What is the InChIKey of (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid?
The InChIKey is SPZGIJWZRBXEJP-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-4-19-9(14)7-13(5-6-18-3)11(17)12-8(2)10(15)16/h8H,4-7H2,1-3H3,(H,12,17)(H,15,16)/t8-/m0/s1.
What are the key properties of (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid?
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.32, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 78971735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).