2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid

C8H15NO5 — CID 66174218

IUPAC2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
SMILESCC(C)OC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-5(2)14-7(12)9-4-8(3,13)6(10)11/h5,13H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyWPAJIRZKNIOUHY-UHFFFAOYSA-N
MW205.21 g/mol
LogP-0.04
Rot. Bonds4

About 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid

2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid (PubChem CID 66174218) has the molecular formula C8H15NO5 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
PubChem CID66174218
Molecular FormulaC8H15NO5
Molecular Weight205.21 g/mol
Exact Mass205.10
IUPAC Name2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid
SMILESCC(C)OC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H15NO5/c1-5(2)14-7(12)9-4-8(3,13)6(10)11/h5,13H,4H2,1-3H3,(H,9,12)(H,10,11)
InChIKeyWPAJIRZKNIOUHY-UHFFFAOYSA-N
XLogP-0.04
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 5-0.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

propan-2-yl N-(2,3-dihydroxy-2-methylpropyl)carbamate
CID 66170109
2-hydroxy-2-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
CID 66174172
propan-2-yl N-(2,2-difluoropropyl)carbamate
CID 139305684
propan-2-yl N-(4-amino-2,2-dimethylbutyl)carbamate
CID 106141226
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
propan-2-yl N-(2,2-dimethyl-3-methylsulfonylpropyl)carbamate
CID 89000381
3-[[(2S,3S)-2-amino-3-methylpentanoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66175335
2-hydroxy-3-[(2-methoxy-2-methylpropanoyl)amino]-2-methylpropanoic acid
CID 103018889
propan-2-yl N-[2-(aminomethyl)-2-ethylbutyl]carbamate
CID 106250964
3-(butan-2-ylcarbamoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173440
3-(2,2-dimethylbutanoylamino)-2-hydroxy-2-methylpropanoic acid
CID 66173185
3-[[butan-2-yl(methyl)carbamoyl]amino]-2-hydroxy-2-methylpropanoic acid
CID 66176137

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid (CID 66174218) is 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid is CC(C)OC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid?
The InChIKey is WPAJIRZKNIOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO5/c1-5(2)14-7(12)9-4-8(3,13)6(10)11/h5,13H,4H2,1-3H3,(H,9,12)(H,10,11).
What are the key properties of 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid?
2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid has a molecular weight of 205.21 g/mol, XLogP of -0.04, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(propan-2-yloxycarbonylamino)propanoic acid is sourced from PubChem (CID 66174218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).