3-(carboxyamino)-2-methylpropanoic acid

C5H9NO4 — CID 122599763

IUPAC3-(carboxyamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(4(7)8)2-6-5(9)10/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeySWOJMWRAPSLJNN-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.03
Rot. Bonds3

About 3-(carboxyamino)-2-methylpropanoic acid

3-(carboxyamino)-2-methylpropanoic acid (PubChem CID 122599763) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 3-(carboxyamino)-2-methylpropanoic acid.

Molecular Properties

Compound Name3-(carboxyamino)-2-methylpropanoic acid
PubChem CID122599763
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name3-(carboxyamino)-2-methylpropanoic acid
SMILESCC(CNC(=O)O)C(=O)O
InChIInChI=1S/C5H9NO4/c1-3(4(7)8)2-6-5(9)10/h3,6H,2H2,1H3,(H,7,8)(H,9,10)
InChIKeySWOJMWRAPSLJNN-UHFFFAOYSA-N
XLogP-0.03
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(carboxyamino)-2-methylpropanoic acid?
The IUPAC name of 3-(carboxyamino)-2-methylpropanoic acid (CID 122599763) is 3-(carboxyamino)-2-methylpropanoic acid.
What is the SMILES notation for 3-(carboxyamino)-2-methylpropanoic acid?
The canonical SMILES for 3-(carboxyamino)-2-methylpropanoic acid is CC(CNC(=O)O)C(=O)O.
What is the InChIKey of 3-(carboxyamino)-2-methylpropanoic acid?
The InChIKey is SWOJMWRAPSLJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c1-3(4(7)8)2-6-5(9)10/h3,6H,2H2,1H3,(H,7,8)(H,9,10).
What are the key properties of 3-(carboxyamino)-2-methylpropanoic acid?
3-(carboxyamino)-2-methylpropanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.03, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(carboxyamino)-2-methylpropanoic acid is sourced from PubChem (CID 122599763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).