2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid

C6H11NO4 — CID 22123992

IUPAC2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid
SMILESCC(CO)C(=O)NCC(=O)O
InChIInChI=1S/C6H11NO4/c1-4(3-8)6(11)7-2-5(9)10/h4,8H,2-3H2,1H3,(H,7,11)(H,9,10)
InChIKeyQJCFYDHPKKEQMT-UHFFFAOYSA-N
MW161.16 g/mol
LogP-1.18
Rot. Bonds4

About 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid

2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid (PubChem CID 22123992) has the molecular formula C6H11NO4 and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid
PubChem CID22123992
Molecular FormulaC6H11NO4
Molecular Weight161.16 g/mol
Exact Mass161.07
IUPAC Name2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid
SMILESCC(CO)C(=O)NCC(=O)O
InChIInChI=1S/C6H11NO4/c1-4(3-8)6(11)7-2-5(9)10/h4,8H,2-3H2,1H3,(H,7,11)(H,9,10)
InChIKeyQJCFYDHPKKEQMT-UHFFFAOYSA-N
XLogP-1.18
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 5-1.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid?
The IUPAC name of 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid (CID 22123992) is 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid.
What is the SMILES notation for 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid?
The canonical SMILES for 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid is CC(CO)C(=O)NCC(=O)O.
What is the InChIKey of 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid?
The InChIKey is QJCFYDHPKKEQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO4/c1-4(3-8)6(11)7-2-5(9)10/h4,8H,2-3H2,1H3,(H,7,11)(H,9,10).
What are the key properties of 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid?
2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid has a molecular weight of 161.16 g/mol, XLogP of -1.18, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-hydroxy-2-methylpropanoyl)amino]acetic acid is sourced from PubChem (CID 22123992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).