2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid

C19H25N3O4 — CID 171364727

IUPAC2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cnn(C(C)(C)C(=O)O)c2)c1
InChIInChI=1S/C19H25N3O4/c1-18(2,3)26-17(25)20-10-13-7-6-8-14(9-13)15-11-21-22(12-15)19(4,5)16(23)24/h6-9,11-12H,10H2,1-5H3,(H,20,25)(H,23,24)
InChIKeyZXTKNJICLQKYKP-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.39
Rot. Bonds5

About 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid

2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid (PubChem CID 171364727) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid
PubChem CID171364727
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid
SMILESCC(C)(C)OC(=O)NCc1cccc(-c2cnn(C(C)(C)C(=O)O)c2)c1
InChIInChI=1S/C19H25N3O4/c1-18(2,3)26-17(25)20-10-13-7-6-8-14(9-13)15-11-21-22(12-15)19(4,5)16(23)24/h6-9,11-12H,10H2,1-5H3,(H,20,25)(H,23,24)
InChIKeyZXTKNJICLQKYKP-UHFFFAOYSA-N
XLogP3.39
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-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

Related Compounds

tert-butyl N-[[3-(3-hydroxyphenyl)phenyl]methyl]carbamate
CID 58911434
tert-butyl N-[[3-[3-(aminomethyl)phenyl]phenyl]methyl]carbamate
CID 110282100
tert-butyl N-[2-[3-(1-methylpyrazol-4-yl)phenyl]ethyl]carbamate
CID 146267007
tert-butyl N-[[3-(3-carbamoylphenyl)phenyl]methyl]carbamate
CID 141438103
2-[3-[1-(1-methoxy-2-methyl-1-oxopropan-2-yl)pyrazol-4-yl]phenyl]acetic acid
CID 171364729
tert-butyl N-[[3-[(benzylamino)methyl]phenyl]methyl]carbamate
CID 66616766
tert-butyl N-[[3-(3-hydroxyprop-1-enyl)phenyl]methyl]carbamate
CID 169454210
[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbamic acid
CID 143553778
tert-butyl N-[[3-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]phenyl]methyl]carbamate
CID 68932738
tert-butyl N-[[3-[2-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)pyrimidin-5-yl]phenyl]methyl]carbamate
CID 118132574
tert-butyl N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]carbamate
CID 21018889
tert-butyl N-[[3-(2-hydroxyethoxy)phenyl]methyl]carbamate
CID 167192366

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid?
The IUPAC name of 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid (CID 171364727) is 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid.
What is the SMILES notation for 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid?
The canonical SMILES for 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid is CC(C)(C)OC(=O)NCc1cccc(-c2cnn(C(C)(C)C(=O)O)c2)c1.
What is the InChIKey of 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid?
The InChIKey is ZXTKNJICLQKYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-18(2,3)26-17(25)20-10-13-7-6-8-14(9-13)15-11-21-22(12-15)19(4,5)16(23)24/h6-9,11-12H,10H2,1-5H3,(H,20,25)(H,23,24).
What are the key properties of 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid?
2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid has a molecular weight of 359.43 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[4-[3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]pyrazol-1-yl]propanoic acid is sourced from PubChem (CID 171364727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).