3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid

C10H20N2O5 — CID 82951243

IUPAC3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C(=O)NC(CO)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O5/c1-7(2)12(4-5-17-3)10(16)11-8(6-13)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyHAMODYIKITVMAE-UHFFFAOYSA-N
MW248.28 g/mol
LogP-0.50
Rot. Bonds7

About 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid

3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid (PubChem CID 82951243) has the molecular formula C10H20N2O5 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
PubChem CID82951243
Molecular FormulaC10H20N2O5
Molecular Weight248.28 g/mol
Exact Mass248.14
IUPAC Name3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
SMILESCOCCN(C(=O)NC(CO)C(=O)O)C(C)C
InChIInChI=1S/C10H20N2O5/c1-7(2)12(4-5-17-3)10(16)11-8(6-13)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15)
InChIKeyHAMODYIKITVMAE-UHFFFAOYSA-N
XLogP-0.50
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-4-amino-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]-4-oxobutanoic acid
CID 82951704
(2R)-2-[bis(2-methoxyethyl)carbamoylamino]-3-hydroxypropanoic acid
CID 80755955
(2R)-3-hydroxy-2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid
CID 80756986
2-[[2-hydroxyethyl(propan-2-yl)carbamoyl]amino]-5-methoxypentanoic acid
CID 81084788
(2R)-3-hydroxy-2-[[2-methoxyethyl(2-methylpropyl)carbamoyl]amino]propanoic acid
CID 80756983
2-cyclopropyl-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]acetic acid
CID 82951883
(2R)-3-hydroxy-2-[[(2-methoxy-2-oxoethyl)-propan-2-ylcarbamoyl]amino]propanoic acid
CID 80757791
2-[[butan-2-yl(2-methoxyethyl)carbamoyl]amino]-3-methoxypropanoic acid
CID 81086150
(2S)-4-hydroxy-2-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]butanoic acid
CID 107827085
(2S)-3-hydroxy-2-[[3-methoxypropyl(methyl)carbamoyl]amino]propanoic acid
CID 62996884
2-[[2-(2-hydroxyethoxy)ethyl-propan-2-ylcarbamoyl]amino]butanoic acid
CID 114276234
(2S)-3-hydroxy-2-[[2-methoxyethyl-(3-methoxy-3-oxopropyl)carbamoyl]amino]propanoic acid
CID 115535060

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid (CID 82951243) is 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid is COCCN(C(=O)NC(CO)C(=O)O)C(C)C.
What is the InChIKey of 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
The InChIKey is HAMODYIKITVMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O5/c1-7(2)12(4-5-17-3)10(16)11-8(6-13)9(14)15/h7-8,13H,4-6H2,1-3H3,(H,11,16)(H,14,15).
What are the key properties of 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid?
3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid has a molecular weight of 248.28 g/mol, XLogP of -0.50, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[[2-methoxyethyl(propan-2-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82951243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).