(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid

C12H24N2O6 — CID 107827085

IUPAC(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
SMILESCOCCN(C(=O)N[C@@H](CCO)C(=O)O)C(C)COC
InChIInChI=1S/C12H24N2O6/c1-9(8-20-3)14(5-7-19-2)12(18)13-10(4-6-15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1
InChIKeyHPLZAJOSJPWMKF-AXDSSHIGSA-N
MW292.33 g/mol
LogP-0.49
Rot. Bonds10

About (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid

(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid (PubChem CID 107827085) has the molecular formula C12H24N2O6 and a molecular weight of 292.33 g/mol. Its IUPAC name is (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
PubChem CID107827085
Molecular FormulaC12H24N2O6
Molecular Weight292.33 g/mol
Exact Mass292.16
IUPAC Name(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
SMILESCOCCN(C(=O)N[C@@H](CCO)C(=O)O)C(C)COC
InChIInChI=1S/C12H24N2O6/c1-9(8-20-3)14(5-7-19-2)12(18)13-10(4-6-15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1
InChIKeyHPLZAJOSJPWMKF-AXDSSHIGSA-N
XLogP-0.49
TPSA108.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 5-0.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid with MolForge

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Related Compounds

2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid
CID 55004090
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
2-[[ethyl(1-methoxypropan-2-yl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62472882
(2S)-4-hydroxy-2-[[2-hydroxyethyl(2-methoxyethyl)carbamoyl]amino]butanoic acid
CID 114005835
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 82951243
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084788
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]propanoic acid
CID 55000845
5-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]-2-methylpentanoic acid
CID 104686485
2-[[butan-2-yl(butyl)carbamoyl]amino]-4-methoxybutanoic acid
CID 62474515
2-[[2-hydroxyethyl(pentan-3-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81085055
(2S)-2-[[1-cyclopropylethyl(2-methoxyethyl)carbamoyl]amino]hexanoic acid
CID 107145828

Frequently Asked Questions

What is the IUPAC name of (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid (CID 107827085) is (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid is COCCN(C(=O)N[C@@H](CCO)C(=O)O)C(C)COC.
What is the InChIKey of (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid?
The InChIKey is HPLZAJOSJPWMKF-AXDSSHIGSA-N. The full InChI is InChI=1S/C12H24N2O6/c1-9(8-20-3)14(5-7-19-2)12(18)13-10(4-6-15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t9?,10-/m0/s1.
What are the key properties of (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid?
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid has a molecular weight of 292.33 g/mol, XLogP of -0.49, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 107827085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).