2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid

C10H18N2O6 — CID 66168049

IUPAC2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
SMILESCOC(=O)CN(C(=O)NCC(O)C(=O)O)C(C)C
InChIInChI=1S/C10H18N2O6/c1-6(2)12(5-8(14)18-3)10(17)11-4-7(13)9(15)16/h6-7,13H,4-5H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyRVBRSEPEBFDFHD-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.98
Rot. Bonds6

About 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid

2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid (PubChem CID 66168049) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
PubChem CID66168049
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
SMILESCOC(=O)CN(C(=O)NCC(O)C(=O)O)C(C)C
InChIInChI=1S/C10H18N2O6/c1-6(2)12(5-8(14)18-3)10(17)11-4-7(13)9(15)16/h6-7,13H,4-5H2,1-3H3,(H,11,17)(H,15,16)
InChIKeyRVBRSEPEBFDFHD-UHFFFAOYSA-N
XLogP-0.98
TPSA116.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid with MolForge

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Related Compounds

(2S)-2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 107839292
(2S)-2-hydroxy-3-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 107839205
3-[[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]methyl]pentanoic acid
CID 81069874
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
methyl 2-[propan-2-yl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
CID 113226999
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-methylpropanoic acid
CID 66175740
2-hydroxy-3-[[(3-methoxy-3-oxopropyl)-methylcarbamoyl]amino]propanoic acid
CID 66167834
(2S)-3-[[butan-2-yl(butyl)carbamoyl]amino]-2-hydroxypropanoic acid
CID 107839256
4-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-4-oxobutanoic acid
CID 55006758
(2S)-4-[[(2-amino-2-oxoethyl)-propan-2-ylcarbamoyl]amino]-2-hydroxybutanoic acid
CID 107839189
(2S)-2-hydroxy-3-[[propan-2-yl(thiophen-2-ylmethyl)carbamoyl]amino]propanoic acid
CID 107838915
methyl 2-[3,3-dimethylbutanoyl(propan-2-yl)amino]acetate
CID 60766662

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
The IUPAC name of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid (CID 66168049) is 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid.
What is the SMILES notation for 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
The canonical SMILES for 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid is COC(=O)CN(C(=O)NCC(O)C(=O)O)C(C)C.
What is the InChIKey of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
The InChIKey is RVBRSEPEBFDFHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-6(2)12(5-8(14)18-3)10(17)11-4-7(13)9(15)16/h6-7,13H,4-5H2,1-3H3,(H,11,17)(H,15,16).
What are the key properties of 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid?
2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid has a molecular weight of 262.26 g/mol, XLogP of -0.98, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid is sourced from PubChem (CID 66168049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).