2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid

C11H17N3O4 — CID 15018196

IUPAC2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C)(C)OC(=O)NC(Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)6-7-4-5-12-14-7/h4-5,8H,6H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyUMXPSJKQFGBTLO-UHFFFAOYSA-N
MW255.27 g/mol
LogP0.93
Rot. Bonds4

About 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid

2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid (PubChem CID 15018196) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid
PubChem CID15018196
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid
SMILESCC(C)(C)OC(=O)NC(Cc1ccn[nH]1)C(=O)O
InChIInChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)6-7-4-5-12-14-7/h4-5,8H,6H2,1-3H3,(H,12,14)(H,13,17)(H,15,16)
InChIKeyUMXPSJKQFGBTLO-UHFFFAOYSA-N
XLogP0.93
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid (CID 15018196) is 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid is CC(C)(C)OC(=O)NC(Cc1ccn[nH]1)C(=O)O.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid?
The InChIKey is UMXPSJKQFGBTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-11(2,3)18-10(17)13-8(9(15)16)6-7-4-5-12-14-7/h4-5,8H,6H2,1-3H3,(H,12,14)(H,13,17)(H,15,16).
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid?
2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid has a molecular weight of 255.27 g/mol, XLogP of 0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(1H-pyrazol-5-yl)propanoic acid is sourced from PubChem (CID 15018196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).