3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid

C19H33NO5 — CID 163518316

IUPAC3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid
SMILESCCC[C@H](CC1(C(=O)NCCC(=O)O)CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO5/c1-5-8-14(16(23)25-18(2,3)4)13-19(10-6-7-11-19)17(24)20-12-9-15(21)22/h14H,5-13H2,1-4H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyDIQRIUWSFBAWDZ-CQSZACIVSA-N
MW355.48 g/mol
LogP3.29
Rot. Bonds9

About 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid

3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid (PubChem CID 163518316) has the molecular formula C19H33NO5 and a molecular weight of 355.48 g/mol. Its IUPAC name is 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid
PubChem CID163518316
Molecular FormulaC19H33NO5
Molecular Weight355.48 g/mol
Exact Mass355.24
IUPAC Name3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid
SMILESCCC[C@H](CC1(C(=O)NCCC(=O)O)CCCC1)C(=O)OC(C)(C)C
InChIInChI=1S/C19H33NO5/c1-5-8-14(16(23)25-18(2,3)4)13-19(10-6-7-11-19)17(24)20-12-9-15(21)22/h14H,5-13H2,1-4H3,(H,20,24)(H,21,22)/t14-/m1/s1
InChIKeyDIQRIUWSFBAWDZ-CQSZACIVSA-N
XLogP3.29
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid?
The IUPAC name of 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid (CID 163518316) is 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid is CCC[C@H](CC1(C(=O)NCCC(=O)O)CCCC1)C(=O)OC(C)(C)C.
What is the InChIKey of 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid?
The InChIKey is DIQRIUWSFBAWDZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H33NO5/c1-5-8-14(16(23)25-18(2,3)4)13-19(10-6-7-11-19)17(24)20-12-9-15(21)22/h14H,5-13H2,1-4H3,(H,20,24)(H,21,22)/t14-/m1/s1.
What are the key properties of 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid?
3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid has a molecular weight of 355.48 g/mol, XLogP of 3.29, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(2R)-2-[(2-methylpropan-2-yl)oxycarbonyl]pentyl]cyclopentanecarbonyl]amino]propanoic acid is sourced from PubChem (CID 163518316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).