benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate

C15H22N2O3 — CID 143979155

IUPACbenzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)[C@@H](N)CCC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-10-17-15(19)13(16)8-9-14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyRVOPNAASEYUSLS-ZDUSSCGKSA-N
MW278.35 g/mol
LogP1.36
Rot. Bonds8

About benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate

benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate (PubChem CID 143979155) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate.

Molecular Properties

Compound Namebenzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
PubChem CID143979155
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Namebenzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate
SMILESCCCNC(=O)[C@@H](N)CCC(=O)OCc1ccccc1
InChIInChI=1S/C15H22N2O3/c1-2-10-17-15(19)13(16)8-9-14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,19)/t13-/m0/s1
InChIKeyRVOPNAASEYUSLS-ZDUSSCGKSA-N
XLogP1.36
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl 4-amino-5-oxooctanoate
CID 123170480
5-O-benzyl 1-O-ethyl (2R)-2-aminopentanedioate
CID 57177294
3-[[(2S)-2-amino-5-oxo-5-phenylmethoxypentanoyl]amino]propane-1-sulfonic acid
CID 59745169
benzyl 3-[[(2S)-2-amino-3-phenylpropanoyl]amino]propanoate;hydrochloride
CID 69462227
(2S)-2-amino-3-phenylmethoxy-N-propylpropanamide
CID 131854794
benzyl 4-amino-5-(benzhydrylamino)-5-oxopentanoate
CID 15692489
benzyl (4S)-4-amino-6-methyl-5-oxoheptanoate
CID 126547548
1-O-benzyl 5-O-methyl (2S)-2-aminopentanedioate
CID 56777388
benzyl 4-amino-5-[(3-hydroxy-1-oxo-1-phenylmethoxybutan-2-yl)amino]-5-oxopentanoate
CID 174940373
5-O-benzyl 1-O-tert-butyl (2S)-2-aminopentanedioate
CID 7022309
dibenzyl 2-[(2-amino-5-oxoheptanoyl)amino]pentanedioate
CID 166879211
benzyl 6-(2,6-diaminohexanoylamino)hexanoate
CID 123609901

Frequently Asked Questions

What is the IUPAC name of benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate?
The IUPAC name of benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate (CID 143979155) is benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate.
What is the SMILES notation for benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate?
The canonical SMILES for benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate is CCCNC(=O)[C@@H](N)CCC(=O)OCc1ccccc1.
What is the InChIKey of benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate?
The InChIKey is RVOPNAASEYUSLS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-2-10-17-15(19)13(16)8-9-14(18)20-11-12-6-4-3-5-7-12/h3-7,13H,2,8-11,16H2,1H3,(H,17,19)/t13-/m0/s1.
What are the key properties of benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate?
benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate has a molecular weight of 278.35 g/mol, XLogP of 1.36, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (4S)-4-amino-5-oxo-5-(propylamino)pentanoate is sourced from PubChem (CID 143979155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).