propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

C17H24FNO4 — CID 57410438

IUPACpropan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)OC(=O)[C@@H](CC1=CC=CC=C1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24FNO4/c1-11(2)22-15(20)14(19-16(21)23-17(3,4)5)10-12-8-6-7-9-13(12)18/h6-9,11,14H,10H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyQINBKCXBKAVAIW-CQSZACIVSA-N
MW325.40 g/mol
LogP3.70
Rot. Bonds8

About propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate

propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (PubChem CID 57410438) has the molecular formula C17H24FNO4 and a molecular weight of 325.40 g/mol. Its IUPAC name is propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.

Molecular Properties

Compound Namepropan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
PubChem CID57410438
Molecular FormulaC17H24FNO4
Molecular Weight325.40 g/mol
Exact Mass325.17
IUPAC Namepropan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
SMILESCC(C)OC(=O)[C@@H](CC1=CC=CC=C1F)NC(=O)OC(C)(C)C
InChIInChI=1S/C17H24FNO4/c1-11(2)22-15(20)14(19-16(21)23-17(3,4)5)10-12-8-6-7-9-13(12)18/h6-9,11,14H,10H2,1-5H3,(H,19,21)/t14-/m1/s1
InChIKeyQINBKCXBKAVAIW-CQSZACIVSA-N
XLogP3.70
TPSA64.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity406

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate 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-{[(Tert-butoxy)carbonyl]amino}-3-phenylpropanoic acid
CID 269698
tert-butyl N-[(2S)-1-oxo-3-phenylpropan-2-yl]carbamate
CID 6998013
L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-
CID 77857
(2S,5E)-6-(4-fluorophenyl)-1-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]hex-5-en-2-yl (2S)-2-formamido-4-methylpentanoate
CID 24971289
cyclo[L-alanyl-D-alloisoleucyl-(3S,4S)-3-hydroxy-4-methyloctanoyl-L-phenylalanyl]
CID 9848317
Beauveriolide I
CID 9913349
N-((Phenylmethoxy)carbonyl)-L-phenylalanine ethyl ester
CID 34309
Acetyl-L-phenylalanine ethyl ester
CID 94229
(2S)-2-((ethoxycarbonyl)amino)-3-phenylpropanoic acid
CID 2817957
[(2S)-1-phenylpropan-2-yl] N-[(2S)-1-oxohexan-2-yl]carbamate
CID 44343301
((S)-1-Formyl-pentyl)-carbamic acid (S)-1-benzyl-propyl ester
CID 44343028
(R)-2-(7-Hydroxycarbamoyl-heptanoylamino)-3-phenyl-propionic acid methyl ester
CID 10871817

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The IUPAC name of propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate (CID 57410438) is propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
What is the SMILES notation for propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The canonical SMILES for propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is CC(C)OC(=O)[C@@H](CC1=CC=CC=C1F)NC(=O)OC(C)(C)C.
What is the InChIKey of propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
The InChIKey is QINBKCXBKAVAIW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H24FNO4/c1-11(2)22-15(20)14(19-16(21)23-17(3,4)5)10-12-8-6-7-9-13(12)18/h6-9,11,14H,10H2,1-5H3,(H,19,21)/t14-/m1/s1.
What are the key properties of propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate?
propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate has a molecular weight of 325.40 g/mol, XLogP of 3.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2R)-3-(2-fluorophenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate is sourced from PubChem (CID 57410438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).