3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

C10H19NO5 — CID 22346961

IUPAC3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)N(CCO)CCC(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11(6-7-12)5-4-8(13)14/h12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHKVQWBJTOOSNIP-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.69
Rot. Bonds5

About 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid

3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (PubChem CID 22346961) has the molecular formula C10H19NO5 and a molecular weight of 233.26 g/mol. Its IUPAC name is 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
PubChem CID22346961
Molecular FormulaC10H19NO5
Molecular Weight233.26 g/mol
Exact Mass233.13
IUPAC Name3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid
SMILESCC(C)(C)OC(=O)N(CCO)CCC(=O)O
InChIInChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11(6-7-12)5-4-8(13)14/h12H,4-7H2,1-3H3,(H,13,14)
InChIKeyHKVQWBJTOOSNIP-UHFFFAOYSA-N
XLogP0.69
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The IUPAC name of 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid (CID 22346961) is 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is CC(C)(C)OC(=O)N(CCO)CCC(=O)O.
What is the InChIKey of 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
The InChIKey is HKVQWBJTOOSNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO5/c1-10(2,3)16-9(15)11(6-7-12)5-4-8(13)14/h12H,4-7H2,1-3H3,(H,13,14).
What are the key properties of 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid?
3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid has a molecular weight of 233.26 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propanoic acid is sourced from PubChem (CID 22346961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).