(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid

C17H25NO5 — CID 102427058

IUPAC(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)COCc1ccccc1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18-14(9-10-15(19)20)12-22-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyJSDVYAGWZVHAEZ-CQSZACIVSA-N
MW323.39 g/mol
LogP2.96
Rot. Bonds8

About (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid

(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid (PubChem CID 102427058) has the molecular formula C17H25NO5 and a molecular weight of 323.39 g/mol. Its IUPAC name is (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid.

Molecular Properties

Compound Name(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
PubChem CID102427058
Molecular FormulaC17H25NO5
Molecular Weight323.39 g/mol
Exact Mass323.17
IUPAC Name(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H](CCC(=O)O)COCc1ccccc1
InChIInChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18-14(9-10-15(19)20)12-22-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1
InChIKeyJSDVYAGWZVHAEZ-CQSZACIVSA-N
XLogP2.96
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[(2R)-1-phenylmethoxyhexan-2-yl]carbamate
CID 130835886
tert-butyl N-(1-phenyl-3-phenylmethoxypropan-2-yl)carbamate
CID 23245831
tert-butyl N-[1-[[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropyl]amino]-3-phenylmethoxypropan-2-yl]carbamate
CID 66639988
tert-butyl N-[4-(4-methylphenyl)-1-phenylmethoxybutan-2-yl]carbamate
CID 122389860
(4R)-4-[[(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoyl]amino]-5-phenylpentanoic acid
CID 122210174
2-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-6-phenylmethoxyhexoxy]acetate
CID 86647244
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropanoate
CID 13384474
tert-butyl N-[(1R)-1-phenyl-2-phenylmethoxyethyl]carbamate
CID 134926215
[(2R)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-phenylmethoxypropoxy]-3-phenylmethoxypropan-2-yl] methanesulfonate
CID 11466597
tert-butyl N-[1-(furan-2-yl)-3-phenylmethoxypropan-2-yl]carbamate
CID 132916154
tert-butyl N-[(5S)-5-[[(2S)-2,6-bis[(2-methylpropan-2-yl)oxycarbonylamino]hexanoyl]amino]-6-phenylmethoxyhexyl]carbamate
CID 126567982
tert-butyl N-[[(2S)-1-phenyl-3-phenylmethoxypropan-2-yl]amino]carbamate
CID 174718495

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid?
The IUPAC name of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid (CID 102427058) is (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid.
What is the SMILES notation for (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid?
The canonical SMILES for (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid is CC(C)(C)OC(=O)N[C@H](CCC(=O)O)COCc1ccccc1.
What is the InChIKey of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid?
The InChIKey is JSDVYAGWZVHAEZ-CQSZACIVSA-N. The full InChI is InChI=1S/C17H25NO5/c1-17(2,3)23-16(21)18-14(9-10-15(19)20)12-22-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,21)(H,19,20)/t14-/m1/s1.
What are the key properties of (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid?
(4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid has a molecular weight of 323.39 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylmethoxypentanoic acid is sourced from PubChem (CID 102427058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).