2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine

C8H19NO3 — CID 13231155

IUPAC2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.O=C(O)CO
InChIInChI=1S/C6H15N.C2H4O3/c1-5(2)7-6(3)4;3-1-2(4)5/h5-7H,1-4H3;3H,1H2,(H,4,5)
InChIKeyMEQBSQJWQRPLQZ-UHFFFAOYSA-N
MW177.24 g/mol
LogP0.46
Rot. Bonds3

About 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine

2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine (PubChem CID 13231155) has the molecular formula C8H19NO3 and a molecular weight of 177.24 g/mol. Its IUPAC name is 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
PubChem CID13231155
Molecular FormulaC8H19NO3
Molecular Weight177.24 g/mol
Exact Mass177.14
IUPAC Name2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.O=C(O)CO
InChIInChI=1S/C6H15N.C2H4O3/c1-5(2)7-6(3)4;3-1-2(4)5/h5-7H,1-4H3;3H,1H2,(H,4,5)
InChIKeyMEQBSQJWQRPLQZ-UHFFFAOYSA-N
XLogP0.46
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine?
The IUPAC name of 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine (CID 13231155) is 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine?
The canonical SMILES for 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.O=C(O)CO.
What is the InChIKey of 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine?
The InChIKey is MEQBSQJWQRPLQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15N.C2H4O3/c1-5(2)7-6(3)4;3-1-2(4)5/h5-7H,1-4H3;3H,1H2,(H,4,5).
What are the key properties of 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine?
2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine has a molecular weight of 177.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyacetic acid;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 13231155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).