3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid

C11H20N2O6 — CID 174909049

IUPAC3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-11(2,3)19-10(18)12-5-4-8(15)13-7(6-14)9(16)17/h7,14H,4-6H2,1-3H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyYCXHCJRUZFFTOA-UHFFFAOYSA-N
MW276.29 g/mol
LogP-0.54
Rot. Bonds6

About 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid

3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid (PubChem CID 174909049) has the molecular formula C11H20N2O6 and a molecular weight of 276.29 g/mol. Its IUPAC name is 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid.

Molecular Properties

Compound Name3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
PubChem CID174909049
Molecular FormulaC11H20N2O6
Molecular Weight276.29 g/mol
Exact Mass276.13
IUPAC Name3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid
SMILESCC(C)(C)OC(=O)NCCC(=O)NC(CO)C(=O)O
InChIInChI=1S/C11H20N2O6/c1-11(2,3)19-10(18)12-5-4-8(15)13-7(6-14)9(16)17/h7,14H,4-6H2,1-3H3,(H,12,18)(H,13,15)(H,16,17)
InChIKeyYCXHCJRUZFFTOA-UHFFFAOYSA-N
XLogP-0.54
TPSA124.96 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 5-0.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[3-oxo-3-(1,2,2-trifluoroethylamino)propyl]carbamate
CID 175576585
tert-butyl 2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoate
CID 173365471
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethylamino]-5-oxopentanoic acid
CID 58528233
3-hydroxy-2-[[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoic acid
CID 141364905
(2R)-2,3-bis[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 18631841
2-methyl-6-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxohexanoic acid
CID 121437627
tert-butyl N-[3-oxo-3-(sulfanylamino)propyl]carbamate
CID 91112979
(2S)-2-[3-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoic acid
CID 155286724
(2S)-5-amino-2-[3-(methoxycarbonylamino)propanoylamino]-5-oxopentanoic acid
CID 170287274
(2R)-2-[(4-amino-4-methylpentanoyl)amino]-3-hydroxypropanoic acid
CID 80751277
tert-butyl N-(3-hydroxybut-3-enyl)carbamate
CID 45091853
3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid;molecular hydrogen
CID 143124264

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
The IUPAC name of 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid (CID 174909049) is 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid.
What is the SMILES notation for 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
The canonical SMILES for 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid is CC(C)(C)OC(=O)NCCC(=O)NC(CO)C(=O)O.
What is the InChIKey of 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
The InChIKey is YCXHCJRUZFFTOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O6/c1-11(2,3)19-10(18)12-5-4-8(15)13-7(6-14)9(16)17/h7,14H,4-6H2,1-3H3,(H,12,18)(H,13,15)(H,16,17).
What are the key properties of 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid?
3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid has a molecular weight of 276.29 g/mol, XLogP of -0.54, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoylamino]propanoic acid is sourced from PubChem (CID 174909049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).