2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid

C8H16N2O4 — CID 23216206

IUPAC2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid
SMILESCC(C)CNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(2)3-9-8(14)10-4-6(11)7(12)13/h5-6,11H,3-4H2,1-2H3,(H,12,13)(H2,9,10,14)
InChIKeyACUZZAJMQVGZGX-UHFFFAOYSA-N
MW204.23 g/mol
LogP-0.61
Rot. Bonds5

About 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid

2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid (PubChem CID 23216206) has the molecular formula C8H16N2O4 and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid
PubChem CID23216206
Molecular FormulaC8H16N2O4
Molecular Weight204.23 g/mol
Exact Mass204.11
IUPAC Name2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid
SMILESCC(C)CNC(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H16N2O4/c1-5(2)3-9-8(14)10-4-6(11)7(12)13/h5-6,11H,3-4H2,1-2H3,(H,12,13)(H2,9,10,14)
InChIKeyACUZZAJMQVGZGX-UHFFFAOYSA-N
XLogP-0.61
TPSA98.66 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 5-0.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid (CID 23216206) is 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid is CC(C)CNC(=O)NCC(O)C(=O)O.
What is the InChIKey of 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid?
The InChIKey is ACUZZAJMQVGZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O4/c1-5(2)3-9-8(14)10-4-6(11)7(12)13/h5-6,11H,3-4H2,1-2H3,(H,12,13)(H2,9,10,14).
What are the key properties of 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid?
2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid has a molecular weight of 204.23 g/mol, XLogP of -0.61, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-(2-methylpropylcarbamoylamino)propanoic acid is sourced from PubChem (CID 23216206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).