(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid

C12H24N2O5 — CID 114007339

IUPAC(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCOCCN(CC(C)C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)8-14(6-7-19-3)12(18)13-5-4-10(15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t10-/m0/s1
InChIKeyLXEDFWQJTMOOJY-JTQLQIEISA-N
MW276.33 g/mol
LogP0.14
Rot. Bonds9

About (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid

(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid (PubChem CID 114007339) has the molecular formula C12H24N2O5 and a molecular weight of 276.33 g/mol. Its IUPAC name is (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
PubChem CID114007339
Molecular FormulaC12H24N2O5
Molecular Weight276.33 g/mol
Exact Mass276.17
IUPAC Name(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
SMILESCOCCN(CC(C)C)C(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C12H24N2O5/c1-9(2)8-14(6-7-19-3)12(18)13-5-4-10(15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t10-/m0/s1
InChIKeyLXEDFWQJTMOOJY-JTQLQIEISA-N
XLogP0.14
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[[ethyl(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838885
4-[[ethyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107838341
(2S)-4-[[(2-ethoxy-2-oxoethyl)-(2-methoxyethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839122
3-methoxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 81086313
3-(3-methoxypropyl)-1,1-bis(2-methylpropyl)urea
CID 60546714
4-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid
CID 54985894
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
4-[[ethyl-(2-methoxy-2-oxoethyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107839223
3-[2-methoxyethyl(2-methylpropyl)amino]-2-methyl-3-oxopropanoic acid
CID 114897540
(2S)-2-hydroxy-4-[[methyl(2-propan-2-yloxyethyl)carbamoyl]amino]butanoic acid
CID 107840583
4-(dimethylcarbamoylamino)-2-hydroxybutanoic acid
CID 104936189
4-[[cyclopentyl(2-methylpropyl)carbamoyl]amino]-2-hydroxybutanoic acid
CID 107840485

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The IUPAC name of (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid (CID 114007339) is (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The canonical SMILES for (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid is COCCN(CC(C)C)C(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
The InChIKey is LXEDFWQJTMOOJY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H24N2O5/c1-9(2)8-14(6-7-19-3)12(18)13-5-4-10(15)11(16)17/h9-10,15H,4-8H2,1-3H3,(H,13,18)(H,16,17)/t10-/m0/s1.
What are the key properties of (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid?
(2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid has a molecular weight of 276.33 g/mol, XLogP of 0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-4-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]butanoic acid is sourced from PubChem (CID 114007339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).