tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate

C17H25NO5 — CID 23434416

IUPACtert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
SMILESCC(C)(C)OC(=O)CCC(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-15(20)10-9-14(11-19)18-16(21)22-12-13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3,(H,18,21)
InChIKeyRLNTXINSDOYKAW-UHFFFAOYSA-N
MW323.39 g/mol
LogP2.40
Rot. Bonds7

About tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate

tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate (PubChem CID 23434416) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate.

Molecular Properties

Compound Nametert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
PubChem CID23434416
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Nametert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate
SMILESCC(C)(C)OC(=O)CCC(CO)NC(=O)OCc1ccccc1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-15(20)10-9-14(11-19)18-16(21)22-12-13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3,(H,18,21)
InChIKeyRLNTXINSDOYKAW-UHFFFAOYSA-N
XLogP2.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2-methylpropan-2-yl)oxy]-6-oxo-3-(phenylmethoxycarbonylamino)hexanoic acid
CID 130469519
benzyl N-[(2S)-1-hydroxy-5-oxohexan-2-yl]carbamate
CID 66600444
benzyl N-[(3R)-4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]carbamate
CID 54311915
tert-butyl 4-(phenylmethoxycarbonylamino)-4-pyridin-4-ylbutanoate
CID 132512694
1-O-benzyl 6-O-tert-butyl 2-(phenylmethoxycarbonylamino)hexanedioate
CID 15567307
6-[(2-methylpropan-2-yl)oxy]-6-oxo-2-(phenylmethoxycarbonylamino)hexanoic acid
CID 15567309
methyl 7-hydroxy-6-(phenylmethoxycarbonylamino)heptanoate
CID 170020317
1-O-benzyl 5-O-tert-butyl (2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]pentanedioate
CID 51349741
1-O-tert-butyl 5-O-methyl (2R)-2-(phenylmethoxycarbonylamino)pentanedioate
CID 10594076
tert-butyl-[(3R)-4-hydroxy-3-(phenylmethoxycarbonylamino)butyl]carbamic acid
CID 69440258
1-O,1-O-dibenzyl 3-O-tert-butyl propane-1,1,3-tricarboxylate
CID 11315892
ditert-butyl (2S)-2-(phenylmethoxycarbonylaminocarbamoylamino)pentanedioate
CID 71275672

Frequently Asked Questions

What is the IUPAC name of tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate?
The IUPAC name of tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate (CID 23434416) is tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate.
What is the SMILES notation for tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate?
The canonical SMILES for tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate is CC(C)(C)OC(=O)CCC(CO)NC(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate?
The InChIKey is RLNTXINSDOYKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO5/c1-17(2,3)23-15(20)10-9-14(11-19)18-16(21)22-12-13-7-5-4-6-8-13/h4-8,14,19H,9-12H2,1-3H3,(H,18,21).
What are the key properties of tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate?
tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate has a molecular weight of 323.39 g/mol, XLogP of 2.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 5-hydroxy-4-(phenylmethoxycarbonylamino)pentanoate is sourced from PubChem (CID 23434416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).