benzyl 2-amino-5-imidazol-1-ylpentanoate

C15H19N3O2 — CID 57035168

IUPACbenzyl 2-amino-5-imidazol-1-ylpentanoate
SMILESNC(CCCn1ccnc1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H19N3O2/c16-14(7-4-9-18-10-8-17-12-18)15(19)20-11-13-5-2-1-3-6-13/h1-3,5-6,8,10,12,14H,4,7,9,11,16H2
InChIKeyZZQVLQVTYCQMPC-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.73
Rot. Bonds7

About benzyl 2-amino-5-imidazol-1-ylpentanoate

benzyl 2-amino-5-imidazol-1-ylpentanoate (PubChem CID 57035168) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is benzyl 2-amino-5-imidazol-1-ylpentanoate.

Molecular Properties

Compound Namebenzyl 2-amino-5-imidazol-1-ylpentanoate
PubChem CID57035168
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Namebenzyl 2-amino-5-imidazol-1-ylpentanoate
SMILESNC(CCCn1ccnc1)C(=O)OCc1ccccc1
InChIInChI=1S/C15H19N3O2/c16-14(7-4-9-18-10-8-17-12-18)15(19)20-11-13-5-2-1-3-6-13/h1-3,5-6,8,10,12,14H,4,7,9,11,16H2
InChIKeyZZQVLQVTYCQMPC-UHFFFAOYSA-N
XLogP1.73
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl 3-imidazol-1-ylpropanoate
CID 4800438
benzyl N-[3-(3-imidazol-1-ylpropylamino)cyclobutyl]carbamate
CID 103392953
(6S)-2,6-diamino-7-oxo-7-phenylmethoxyheptanoic acid
CID 70487944
(2S)-2-amino-N-(3-imidazol-1-ylpropyl)-3-phenylpropanamide
CID 28994199
2-benzyl-6-imidazol-1-ylhexanoic acid
CID 70440938
1-[4-(2-phenylmethoxyphenoxy)butyl]imidazole
CID 2995500
benzyl 2,6-diaminohexanoate;hydrochloride
CID 67841130
1-(8-phenyloctyl)imidazole
CID 102394184
2-amino-N-(2-imidazol-1-ylethyl)-3-phenylpropanamide
CID 61325742
benzyl 2-imidazol-1-ylhexanoate
CID 86740497
benzyl 2-amino-4-iodobutanoate
CID 141050594
benzyl 2-amino-4-bromobutanoate
CID 18467389

Frequently Asked Questions

What is the IUPAC name of benzyl 2-amino-5-imidazol-1-ylpentanoate?
The IUPAC name of benzyl 2-amino-5-imidazol-1-ylpentanoate (CID 57035168) is benzyl 2-amino-5-imidazol-1-ylpentanoate.
What is the SMILES notation for benzyl 2-amino-5-imidazol-1-ylpentanoate?
The canonical SMILES for benzyl 2-amino-5-imidazol-1-ylpentanoate is NC(CCCn1ccnc1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-amino-5-imidazol-1-ylpentanoate?
The InChIKey is ZZQVLQVTYCQMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c16-14(7-4-9-18-10-8-17-12-18)15(19)20-11-13-5-2-1-3-6-13/h1-3,5-6,8,10,12,14H,4,7,9,11,16H2.
What are the key properties of benzyl 2-amino-5-imidazol-1-ylpentanoate?
benzyl 2-amino-5-imidazol-1-ylpentanoate has a molecular weight of 273.34 g/mol, XLogP of 1.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-amino-5-imidazol-1-ylpentanoate is sourced from PubChem (CID 57035168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).