tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate

C14H19ClN2O3 — CID 80979261

IUPACtert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate
SMILESC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19ClN2O3/c1-9(12(18)20-14(2,3)4)16-13(19)17-11-7-5-10(15)6-8-11/h5-9H,1-4H3,(H2,16,17,19)/t9-/m1/s1
InChIKeyOMCLFLWTIWJTBF-SECBINFHSA-N
MW298.77 g/mol
LogP3.19
Rot. Bonds3

About tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate

tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate (PubChem CID 80979261) has the molecular formula C14H19ClN2O3 and a molecular weight of 298.77 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate
PubChem CID80979261
Molecular FormulaC14H19ClN2O3
Molecular Weight298.77 g/mol
Exact Mass298.11
IUPAC Nametert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate
SMILESC[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C
InChIInChI=1S/C14H19ClN2O3/c1-9(12(18)20-14(2,3)4)16-13(19)17-11-7-5-10(15)6-8-11/h5-9H,1-4H3,(H2,16,17,19)/t9-/m1/s1
InChIKeyOMCLFLWTIWJTBF-SECBINFHSA-N
XLogP3.19
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.77
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]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

tert-butyl N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]carbamate
CID 138469738
tert-butyl 2-[1-(4-chlorophenyl)ethylamino]propanoate
CID 64686510
methyl 2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 3992896
methyl (2S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylbutanoate
CID 946676
tert-butyl (2S)-2-[[4-(4-chlorophenoxy)phenyl]carbamoylamino]-3-phenylpropanoate
CID 69435159
tert-butyl (2R)-2-[(3-chloro-4-fluorobenzoyl)amino]propanoate
CID 81435817
4-[1-(4-chlorophenoxy)ethylcarbamoylamino]benzoic acid
CID 108879726
propan-2-yl (2R)-2-[(4-propan-2-ylphenyl)carbamoylamino]propanoate
CID 75393700
tert-butyl (2S)-2-[(3-pyrrolidin-1-ylphenyl)carbamoylamino]propanoate
CID 122149276
methyl (2R,3S)-2-[(4-chlorophenyl)carbamoylamino]-3-methylpentanoate
CID 7645627
tert-butyl 2-(4-chlorophenyl)propanoate
CID 22592402
4-[(4-chlorophenyl)carbamoylamino]-N-propan-2-ylbenzamide
CID 17180574

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate?
The IUPAC name of tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate (CID 80979261) is tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate.
What is the SMILES notation for tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate?
The canonical SMILES for tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate is C[C@@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate?
The InChIKey is OMCLFLWTIWJTBF-SECBINFHSA-N. The full InChI is InChI=1S/C14H19ClN2O3/c1-9(12(18)20-14(2,3)4)16-13(19)17-11-7-5-10(15)6-8-11/h5-9H,1-4H3,(H2,16,17,19)/t9-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate?
tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate has a molecular weight of 298.77 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(4-chlorophenyl)carbamoylamino]propanoate is sourced from PubChem (CID 80979261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).