(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid

C12H22N2O7 — CID 107839122

IUPAC(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCOC(=O)CN(CCOC)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H22N2O7/c1-3-21-10(16)8-14(6-7-20-2)12(19)13-5-4-9(15)11(17)18/h9,15H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9-/m0/s1
InChIKeyLAHXKXQCXGQPIE-VIFPVBQESA-N
MW306.32 g/mol
LogP-0.96
Rot. Bonds10

About (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid

(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid (PubChem CID 107839122) has the molecular formula C12H22N2O7 and a molecular weight of 306.32 g/mol. Its IUPAC name is (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
PubChem CID107839122
Molecular FormulaC12H22N2O7
Molecular Weight306.32 g/mol
Exact Mass306.14
IUPAC Name(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
SMILESCCOC(=O)CN(CCOC)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H22N2O7/c1-3-21-10(16)8-14(6-7-20-2)12(19)13-5-4-9(15)11(17)18/h9,15H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9-/m0/s1
InChIKeyLAHXKXQCXGQPIE-VIFPVBQESA-N
XLogP-0.96
TPSA125.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 114007339
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
(2S)-2-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 78971735
ethyl 2-[(2,2-difluoroacetyl)-(2-methoxyethyl)amino]acetate
CID 103515014
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
5-[[(2-ethoxy-2-oxoethyl)-ethylcarbamoyl]amino]-2-methylpentanoic acid
CID 104686480
ethyl 2-[2-aminobutanoyl(2-methoxyethyl)amino]acetate
CID 54871563
ethyl 2-[cyclohexylcarbamoyl(2-methoxyethyl)amino]acetate
CID 115585865
2-[2-(dimethylcarbamoylamino)ethylcarbamoyl-(2-methoxyethyl)amino]acetic acid
CID 83113976
(2S)-4-[[2-(dimethylamino)ethyl-propylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839519
4-[[ethyl-[2-(ethylamino)-2-oxoethyl]carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839151

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid (CID 107839122) is (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid is CCOC(=O)CN(CCOC)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
The InChIKey is LAHXKXQCXGQPIE-VIFPVBQESA-N. The full InChI is InChI=1S/C12H22N2O7/c1-3-21-10(16)8-14(6-7-20-2)12(19)13-5-4-9(15)11(17)18/h9,15H,3-8H2,1-2H3,(H,13,19)(H,17,18)/t9-/m0/s1.
What are the key properties of (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid?
(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid has a molecular weight of 306.32 g/mol, XLogP of -0.96, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107839122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).