3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

C13H18ClN3O5 — CID 122094832

IUPAC3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)Oc1ncc(Cl)cc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H18ClN3O5/c1-7(2)22-10-9(4-8(14)5-15-10)17-12(20)16-6-13(3,21)11(18)19/h4-5,7,21H,6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyXEDAWMIXEZNUSY-UHFFFAOYSA-N
MW331.76 g/mol
LogP1.48
Rot. Bonds6

About 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid

3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (PubChem CID 122094832) has the molecular formula C13H18ClN3O5 and a molecular weight of 331.76 g/mol. Its IUPAC name is 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
PubChem CID122094832
Molecular FormulaC13H18ClN3O5
Molecular Weight331.76 g/mol
Exact Mass331.09
IUPAC Name3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
SMILESCC(C)Oc1ncc(Cl)cc1NC(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C13H18ClN3O5/c1-7(2)22-10-9(4-8(14)5-15-10)17-12(20)16-6-13(3,21)11(18)19/h4-5,7,21H,6H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKeyXEDAWMIXEZNUSY-UHFFFAOYSA-N
XLogP1.48
TPSA120.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.76
LogP ≤ 51.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-2-methyl-3-[(2-propan-2-yloxy-3-pyridinyl)carbamoylamino]propanoic acid
CID 122076524
3-[(2-ethoxy-5-methyl-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122094505
2-hydroxy-2-methyl-3-[(2-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122076220
3-[(2-fluoro-4-propan-2-yloxyphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122078377
3-[(5-chloro-2-propan-2-ylsulfanylphenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122079562
2-hydroxy-2-methyl-3-[(3-methyl-4-propan-2-yloxyphenyl)carbamoylamino]propanoic acid
CID 122085546
3-[(2-chlorophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66173014
3-[(2,5-dibromophenyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 66176576
2-hydroxy-2-methyl-3-[(4-propan-2-ylphenyl)carbamoylamino]propanoic acid
CID 66174047
2-hydroxy-2-methyl-3-[(2-methyl-3-pyridinyl)carbamoylamino]propanoic acid
CID 79044257
N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-1,3,3a,4,7,7a-hexahydro-4,7-epoxyisoindole-2-carboxamide
CID 128638791
N-(5-chloro-2-propan-2-yloxy-3-pyridinyl)-4-methyl-1,4-diazepane-1-carboxamide
CID 136546888

Frequently Asked Questions

What is the IUPAC name of 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The IUPAC name of 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid (CID 122094832) is 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid.
What is the SMILES notation for 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The canonical SMILES for 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is CC(C)Oc1ncc(Cl)cc1NC(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
The InChIKey is XEDAWMIXEZNUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O5/c1-7(2)22-10-9(4-8(14)5-15-10)17-12(20)16-6-13(3,21)11(18)19/h4-5,7,21H,6H2,1-3H3,(H,18,19)(H2,16,17,20).
What are the key properties of 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid?
3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid has a molecular weight of 331.76 g/mol, XLogP of 1.48, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-chloro-2-propan-2-yloxy-3-pyridinyl)carbamoylamino]-2-hydroxy-2-methylpropanoic acid is sourced from PubChem (CID 122094832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).