benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate

C22H34N2O3 — CID 10624860

IUPACbenzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate
SMILESC=CCCCN(CCCCC)C(=O)[C@H](N)CCC(=O)OCc1ccccc1
InChIInChI=1S/C22H34N2O3/c1-3-5-10-16-24(17-11-6-4-2)22(26)20(23)14-15-21(25)27-18-19-12-8-7-9-13-19/h3,7-9,12-13,20H,1,4-6,10-11,14-18,23H2,2H3/t20-/m1/s1
InChIKeyBBQWQEXLLCHVIK-HXUWFJFHSA-N
MW374.53 g/mol
LogP3.82
Rot. Bonds14

About benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate

benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate (PubChem CID 10624860) has the molecular formula C22H34N2O3 and a molecular weight of 374.53 g/mol. Its IUPAC name is benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate.

Molecular Properties

Compound Namebenzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate
PubChem CID10624860
Molecular FormulaC22H34N2O3
Molecular Weight374.53 g/mol
Exact Mass374.26
IUPAC Namebenzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate
SMILESC=CCCCN(CCCCC)C(=O)[C@H](N)CCC(=O)OCc1ccccc1
InChIInChI=1S/C22H34N2O3/c1-3-5-10-16-24(17-11-6-4-2)22(26)20(23)14-15-21(25)27-18-19-12-8-7-9-13-19/h3,7-9,12-13,20H,1,4-6,10-11,14-18,23H2,2H3/t20-/m1/s1
InChIKeyBBQWQEXLLCHVIK-HXUWFJFHSA-N
XLogP3.82
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.53
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
benzyl 4-amino-5-oxooctanoate
CID 123170480
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
CID 143979155
benzyl heptadecanoate
CID 522569
(2R)-2-amino-N,N-dipentyl-3-(4-phenylmethoxyphenyl)propanamide;hydrochloride
CID 67871370
benzyl decanoate;N,N-dimethylmethanamine
CID 175539518
benzyl 2-[but-3-enyl(ethyl)amino]acetate
CID 178116001
benzyl (5S)-5-amino-6-[[(3S)-hexadecan-3-yl]-(2-phenylethyl)amino]-6-oxohexanoate
CID 139915479
benzyl 4-propan-2-yloctadecanoate
CID 174779566
5-O-benzyl 1-O-octyl (2S)-2-hydroxypentanedioate
CID 118311235
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548
benzyl pent-4-enoate;pent-4-enoic acid
CID 160968601

Frequently Asked Questions

What is the IUPAC name of benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate?
The IUPAC name of benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate (CID 10624860) is benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate.
What is the SMILES notation for benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate?
The canonical SMILES for benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate is C=CCCCN(CCCCC)C(=O)[C@H](N)CCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate?
The InChIKey is BBQWQEXLLCHVIK-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H34N2O3/c1-3-5-10-16-24(17-11-6-4-2)22(26)20(23)14-15-21(25)27-18-19-12-8-7-9-13-19/h3,7-9,12-13,20H,1,4-6,10-11,14-18,23H2,2H3/t20-/m1/s1.
What are the key properties of benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate?
benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate has a molecular weight of 374.53 g/mol, XLogP of 3.82, 14 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4R)-4-amino-5-oxo-5-[pent-4-enyl(pentyl)amino]pentanoate is sourced from PubChem (CID 10624860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).