(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid

C11H20N2O7 — CID 115535060

IUPAC(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CCC(=O)OC)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O7/c1-19-6-5-13(4-3-9(15)20-2)11(18)12-8(7-14)10(16)17/h8,14H,3-7H2,1-2H3,(H,12,18)(H,16,17)/t8-/m0/s1
InChIKeyVOTICZLJDKDUNR-QMMMGPOBSA-N
MW292.29 g/mol
LogP-1.35
Rot. Bonds9

About (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid

(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid (PubChem CID 115535060) has the molecular formula C11H20N2O7 and a molecular weight of 292.29 g/mol. Its IUPAC name is (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
PubChem CID115535060
Molecular FormulaC11H20N2O7
Molecular Weight292.29 g/mol
Exact Mass292.13
IUPAC Name(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
SMILESCOCCN(CCC(=O)OC)C(=O)N[C@@H](CO)C(=O)O
InChIInChI=1S/C11H20N2O7/c1-19-6-5-13(4-3-9(15)20-2)11(18)12-8(7-14)10(16)17/h8,14H,3-7H2,1-2H3,(H,12,18)(H,16,17)/t8-/m0/s1
InChIKeyVOTICZLJDKDUNR-QMMMGPOBSA-N
XLogP-1.35
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 5-1.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid with MolForge

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Related Compounds

(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
(2R)-2-[[2-cyanoethyl(2-methoxyethyl)carbamoyl]amino]-3-hydroxypropanoic acid
CID 80756766
(2S)-2-[bis(2-methoxy-2-oxoethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 62955917
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
(2R)-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanedioic acid
CID 113467934
(2S)-2-[[ethyl(2-methoxyethyl)carbamoyl]amino]-4-methoxy-4-oxobutanoic acid
CID 63305117
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
2-[bis(2-methoxyethyl)carbamoylamino]pentanoic acid
CID 61418362
2-[[ethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 61447549
2-[bis(2-methoxyethyl)carbamoylamino]hexanoic acid
CID 61418314
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313

Frequently Asked Questions

What is the IUPAC name of (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid?
The IUPAC name of (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid (CID 115535060) is (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid is COCCN(CCC(=O)OC)C(=O)N[C@@H](CO)C(=O)O.
What is the InChIKey of (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid?
The InChIKey is VOTICZLJDKDUNR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H20N2O7/c1-19-6-5-13(4-3-9(15)20-2)11(18)12-8(7-14)10(16)17/h8,14H,3-7H2,1-2H3,(H,12,18)(H,16,17)/t8-/m0/s1.
What are the key properties of (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid?
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid has a molecular weight of 292.29 g/mol, XLogP of -1.35, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 115535060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).