cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate

C14H20N2O2 — CID 174805463

IUPACcyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate
SMILESN[C@H](CCCc1ccccc1)NC(=O)OC1CC1
InChIInChI=1S/C14H20N2O2/c15-13(16-14(17)18-12-9-10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)/t13-/m0/s1
InChIKeyWTFHCNOTKYNOJA-ZDUSSCGKSA-N
MW248.33 g/mol
LogP2.18
Rot. Bonds6

About cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate

cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate (PubChem CID 174805463) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate.

Molecular Properties

Compound Namecyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate
PubChem CID174805463
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Namecyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate
SMILESN[C@H](CCCc1ccccc1)NC(=O)OC1CC1
InChIInChI=1S/C14H20N2O2/c15-13(16-14(17)18-12-9-10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)/t13-/m0/s1
InChIKeyWTFHCNOTKYNOJA-ZDUSSCGKSA-N
XLogP2.18
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

dicyclohexyl 2-(4-phenylbutyl)propanedioate
CID 141391882
(4-methylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983525
[4-(3-phenylpropanoyloxy)cyclohexyl] 3-phenylpropanoate
CID 134843861
methyl (2R)-2-amino-5-phenylpentanoate;hydrochloride
CID 137346959
[(2R)-5-phenylpentan-2-yl]urea
CID 70818024
1-cyclopropyl-6-phenylhexan-3-amine
CID 105157718
(1-benzyl-1-methylpiperidin-1-ium-4-yl) N-benzhydrylcarbamate
CID 10768844
cyclododecyl 4-phenylbutanoate
CID 23159480
(3R)-3-methoxycarbonyl-6-phenylhexanoic acid
CID 67881908
benzyl N-(1-aminobutyl)carbamate
CID 3840640
ethyl 2-acetyl-5-phenylpentanoate
CID 14921745
(3,4-dimethylcyclohexyl) (2S)-2-amino-4-phenylbutanoate
CID 104983557

Frequently Asked Questions

What is the IUPAC name of cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate?
The IUPAC name of cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate (CID 174805463) is cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate.
What is the SMILES notation for cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate?
The canonical SMILES for cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate is N[C@H](CCCc1ccccc1)NC(=O)OC1CC1.
What is the InChIKey of cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate?
The InChIKey is WTFHCNOTKYNOJA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H20N2O2/c15-13(16-14(17)18-12-9-10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,12-13H,4,7-10,15H2,(H,16,17)/t13-/m0/s1.
What are the key properties of cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate?
cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate has a molecular weight of 248.33 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl N-[(1S)-1-amino-4-phenylbutyl]carbamate is sourced from PubChem (CID 174805463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).