benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid

C18H28N2O5 — CID 67188552

IUPACbenzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NCCC[C@@H](CO)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H28N2O5/c1-18(2,3)25-16(22)19-11-7-10-15(13-21)20(17(23)24)12-14-8-5-4-6-9-14/h4-6,8-9,15,21H,7,10-13H2,1-3H3,(H,19,22)(H,23,24)/t15-/m0/s1
InChIKeyZMWQPYPUTUYGLE-HNNXBMFYSA-N
MW352.43 g/mol
LogP2.83
Rot. Bonds8

About benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid

benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid (PubChem CID 67188552) has the molecular formula C18H28N2O5 and a molecular weight of 352.43 g/mol. Its IUPAC name is benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid.

Molecular Properties

Compound Namebenzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid
PubChem CID67188552
Molecular FormulaC18H28N2O5
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Namebenzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid
SMILESCC(C)(C)OC(=O)NCCC[C@@H](CO)N(Cc1ccccc1)C(=O)O
InChIInChI=1S/C18H28N2O5/c1-18(2,3)25-16(22)19-11-7-10-15(13-21)20(17(23)24)12-14-8-5-4-6-9-14/h4-6,8-9,15,21H,7,10-13H2,1-3H3,(H,19,22)(H,23,24)/t15-/m0/s1
InChIKeyZMWQPYPUTUYGLE-HNNXBMFYSA-N
XLogP2.83
TPSA99.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[(4S)-4-[benzyl(methyl)amino]-5-oxo-5-(3-phenylpropylamino)pentyl]carbamate
CID 86757003
benzyl-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamic acid
CID 143832483
benzyl N-benzyl-N-[1-[tert-butyl(dimethyl)silyl]oxy-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexan-3-yl]carbamate
CID 154638930
tert-butyl N-[(5S)-5-[benzenesulfonyl(2-methylpropyl)amino]-6-hydroxyhexyl]carbamate
CID 91351823
tert-butyl N-[2-[[benzyl(propan-2-yl)carbamoyl]amino]ethyl]carbamate
CID 108864351
tert-butyl N-benzyl-N-(1-hydroxy-3-methylsulfanylpropan-2-yl)carbamate
CID 71317665
(2S)-2-(benzylamino)-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentanoic acid
CID 101104055
tert-butyl N-[3-[3-[benzyl(methyl)amino]propylamino]propyl]carbamate
CID 130163649
tert-butyl N-[2-[[benzyl(methyl)carbamoyl]amino]ethyl]carbamate
CID 60613829
tert-butyl N-(3-benzylsulfanylpropyl)carbamate
CID 71600352
tert-butyl N-[(4R)-4-amino-5-[methyl-[(4-phenylmethoxyphenyl)methyl]amino]-5-oxopentyl]carbamate
CID 15338902
tert-butyl 3-(benzylcarbamoyl)-6-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 18322837

Frequently Asked Questions

What is the IUPAC name of benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid?
The IUPAC name of benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid (CID 67188552) is benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid.
What is the SMILES notation for benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid?
The canonical SMILES for benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid is CC(C)(C)OC(=O)NCCC[C@@H](CO)N(Cc1ccccc1)C(=O)O.
What is the InChIKey of benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid?
The InChIKey is ZMWQPYPUTUYGLE-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O5/c1-18(2,3)25-16(22)19-11-7-10-15(13-21)20(17(23)24)12-14-8-5-4-6-9-14/h4-6,8-9,15,21H,7,10-13H2,1-3H3,(H,19,22)(H,23,24)/t15-/m0/s1.
What are the key properties of benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid?
benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid has a molecular weight of 352.43 g/mol, XLogP of 2.83, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(2S)-1-hydroxy-5-[(2-methylpropan-2-yl)oxycarbonylamino]pentan-2-yl]carbamic acid is sourced from PubChem (CID 67188552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).