benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate

C26H32N2O5 — CID 10671348

IUPACbenzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate
SMILESN[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H32N2O5/c27-22(16-24(29)32-17-20-11-3-1-4-12-20)25(30)28-23(15-19-9-7-8-10-19)26(31)33-18-21-13-5-2-6-14-21/h1-6,11-14,19,22-23H,7-10,15-18,27H2,(H,28,30)/t22-,23-/m0/s1
InChIKeyFCORTPJLWRWOLD-GOTSBHOMSA-N
MW452.55 g/mol
LogP3.26
Rot. Bonds11

About benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate

benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate (PubChem CID 10671348) has the molecular formula C26H32N2O5 and a molecular weight of 452.55 g/mol. Its IUPAC name is benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate.

Molecular Properties

Compound Namebenzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate
PubChem CID10671348
Molecular FormulaC26H32N2O5
Molecular Weight452.55 g/mol
Exact Mass452.23
IUPAC Namebenzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate
SMILESN[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1
InChIInChI=1S/C26H32N2O5/c27-22(16-24(29)32-17-20-11-3-1-4-12-20)25(30)28-23(15-19-9-7-8-10-19)26(31)33-18-21-13-5-2-6-14-21/h1-6,11-14,19,22-23H,7-10,15-18,27H2,(H,28,30)/t22-,23-/m0/s1
InChIKeyFCORTPJLWRWOLD-GOTSBHOMSA-N
XLogP3.26
TPSA107.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.55
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate with MolForge

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Related Compounds

benzyl (2R)-3-cyclopropyl-2-(phenylmethoxycarbonylamino)propanoate
CID 139650807
benzyl (3S)-3-amino-4-(cyclohexylamino)-4-oxobutanoate
CID 165352812
benzyl 3-amino-4-(cyclododecylamino)-4-oxobutanoate
CID 14373253
benzyl (2S)-3-cyclohexyl-2-[[(2R)-3-cyclohexyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]amino]propanoate
CID 59709687
benzyl (2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-4-methylsulfanylbutanoate
CID 54554752
benzyl (2S)-2-[[(2S)-2-amino-3-cyclohexylpropanoyl]amino]-4-methylsulfanylbutanoate;hydrochloride
CID 70619405
3-(cyclopentylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 20752878
(2S)-3-cyclobutyl-2-(phenylmethoxycarbonylamino)propanoic acid
CID 129372179
(3S)-3-(cyclohexylmethyl)-4-oxo-4-phenylmethoxybutanoic acid
CID 59364557
(3S)-3-amino-4-oxo-4-[[(2S)-1-oxo-1,3-bis(phenylmethoxy)propan-2-yl]amino]butanoic acid
CID 15922425
benzyl N-[(2S)-1-[[(1R)-1-amino-2-hydroxyethyl]amino]-3-cyclohexyl-1-oxopropan-2-yl]carbamate
CID 11793083
benzyl (2S)-2-[[(3R)-3-amino-4-cyclohexyl-2-hydroxybutanoyl]amino]propanoate
CID 10155562

Frequently Asked Questions

What is the IUPAC name of benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate?
The IUPAC name of benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate (CID 10671348) is benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate.
What is the SMILES notation for benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate?
The canonical SMILES for benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate is N[C@@H](CC(=O)OCc1ccccc1)C(=O)N[C@@H](CC1CCCC1)C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate?
The InChIKey is FCORTPJLWRWOLD-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H32N2O5/c27-22(16-24(29)32-17-20-11-3-1-4-12-20)25(30)28-23(15-19-9-7-8-10-19)26(31)33-18-21-13-5-2-6-14-21/h1-6,11-14,19,22-23H,7-10,15-18,27H2,(H,28,30)/t22-,23-/m0/s1.
What are the key properties of benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate?
benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate has a molecular weight of 452.55 g/mol, XLogP of 3.26, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (3S)-3-amino-4-[[(2S)-3-cyclopentyl-1-oxo-1-phenylmethoxypropan-2-yl]amino]-4-oxobutanoate is sourced from PubChem (CID 10671348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).