tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate

C16H23NO2 — CID 103244657

IUPACtert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1CC1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)9-10-17-14-11-13(14)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3
InChIKeyZKILBCLWDNERBK-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.86
Rot. Bonds5

About tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate

tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate (PubChem CID 103244657) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
PubChem CID103244657
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Nametert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate
SMILESCC(C)(C)OC(=O)CCNC1CC1c1ccccc1
InChIInChI=1S/C16H23NO2/c1-16(2,3)19-15(18)9-10-17-14-11-13(14)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3
InChIKeyZKILBCLWDNERBK-UHFFFAOYSA-N
XLogP2.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(1S)-2-phenylcyclopropyl]carbamate
CID 58486461
tert-butyl N-[(1S,2R)-2-phenylcyclopropyl]carbamate;carbonic acid
CID 70980362
tert-butyl N-[4-[[(2-phenylcyclopropyl)amino]methyl]cyclohexyl]carbamate
CID 77144961
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
tert-butyl N-[2-[[ethylamino-[(2-phenylcyclopropyl)amino]methylidene]amino]ethyl]carbamate
CID 111884785
tert-butyl 3-(benzylamino)propanoate
CID 10776134
tert-butyl N-[1-(benzylamino)-1-oxo-6-[[(1R,2S)-2-phenylcyclopropyl]amino]hexan-2-yl]carbamate
CID 118411594
tert-butyl 3-[(2-hydroxycyclohexyl)amino]propanoate
CID 103249866
tert-butyl 3-[[10-[[[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]amino]methyl]anthracen-9-yl]methylamino]propanoate
CID 22026217
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-phenylcyclopropan-1-amine
CID 104562065

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate?
The IUPAC name of tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate (CID 103244657) is tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate.
What is the SMILES notation for tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate?
The canonical SMILES for tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate is CC(C)(C)OC(=O)CCNC1CC1c1ccccc1.
What is the InChIKey of tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate?
The InChIKey is ZKILBCLWDNERBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-16(2,3)19-15(18)9-10-17-14-11-13(14)12-7-5-4-6-8-12/h4-8,13-14,17H,9-11H2,1-3H3.
What are the key properties of tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate?
tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate has a molecular weight of 261.37 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[(2-phenylcyclopropyl)amino]propanoate is sourced from PubChem (CID 103244657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).