tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid

C17H24N2O3 — CID 70362824

IUPACtert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid
SMILESC[C@H](C(=O)NC/C=C\c1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-13(19(16(21)22)17(2,3)4)15(20)18-12-8-11-14-9-6-5-7-10-14/h5-11,13H,12H2,1-4H3,(H,18,20)(H,21,22)/b11-8-/t13-/m1/s1
InChIKeySNSIOERANLAJIW-BIRHUZIMSA-N
MW304.39 g/mol
LogP2.98
Rot. Bonds5

About tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid

tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid (PubChem CID 70362824) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid
PubChem CID70362824
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nametert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid
SMILESC[C@H](C(=O)NC/C=C\c1ccccc1)N(C(=O)O)C(C)(C)C
InChIInChI=1S/C17H24N2O3/c1-13(19(16(21)22)17(2,3)4)15(20)18-12-8-11-14-9-6-5-7-10-14/h5-11,13H,12H2,1-4H3,(H,18,20)(H,21,22)/b11-8-/t13-/m1/s1
InChIKeySNSIOERANLAJIW-BIRHUZIMSA-N
XLogP2.98
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid with MolForge

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Related Compounds

N-tert-butyl-2-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 115605485
3-phenylprop-2-enylcarbamothioic S-acid
CID 173357040
(2S)-2-[acetyl(tert-butyl)amino]-N-benzylpropanamide
CID 70458040
N-methyl-2-(3-phenylprop-2-enylamino)propanamide
CID 76940370
1-phenyl-3-(3-phenylprop-2-enyl)urea
CID 67941809
3-methyl-2-(3-phenylprop-2-enylamino)butanoic acid
CID 71827506
N-(3-phenylprop-2-enyl)hexanamide
CID 54485378
3-methyl-2-[[(E)-3-phenylprop-2-enyl]amino]butanoic acid;hydrochloride
CID 51051827
methyl 2-(3-phenylprop-2-enylamino)propanoate
CID 78989064
N-tert-butyl-3-[[(E)-3-phenylprop-2-enyl]amino]propanamide
CID 112689881
2-methyl-N-[(E)-3-phenylprop-2-enyl]propan-2-amine
CID 6387609
3-phenyl-N-propan-2-ylprop-2-en-1-amine
CID 54218883

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid?
The IUPAC name of tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid (CID 70362824) is tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid is C[C@H](C(=O)NC/C=C\c1ccccc1)N(C(=O)O)C(C)(C)C.
What is the InChIKey of tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid?
The InChIKey is SNSIOERANLAJIW-BIRHUZIMSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-13(19(16(21)22)17(2,3)4)15(20)18-12-8-11-14-9-6-5-7-10-14/h5-11,13H,12H2,1-4H3,(H,18,20)(H,21,22)/b11-8-/t13-/m1/s1.
What are the key properties of tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid?
tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid has a molecular weight of 304.39 g/mol, XLogP of 2.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2R)-1-oxo-1-[[(Z)-3-phenylprop-2-enyl]amino]propan-2-yl]carbamic acid is sourced from PubChem (CID 70362824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).