5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid

C15H25NO6 — CID 118595314

IUPAC5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H](OC(=O)CCCC(=O)O)C1
InChIInChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-10-7-8-11(9-10)21-13(19)6-4-5-12(17)18/h10-11H,4-9H2,1-3H3,(H,16,20)(H,17,18)/t10-,11+/m0/s1
InChIKeyIXBQQLBARXHTBY-WDEREUQCSA-N
MW315.37 g/mol
LogP2.23
Rot. Bonds6

About 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid

5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid (PubChem CID 118595314) has the molecular formula C15H25NO6 and a molecular weight of 315.37 g/mol. Its IUPAC name is 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid
PubChem CID118595314
Molecular FormulaC15H25NO6
Molecular Weight315.37 g/mol
Exact Mass315.17
IUPAC Name5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid
SMILESCC(C)(C)OC(=O)N[C@H]1CC[C@@H](OC(=O)CCCC(=O)O)C1
InChIInChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-10-7-8-11(9-10)21-13(19)6-4-5-12(17)18/h10-11H,4-9H2,1-3H3,(H,16,20)(H,17,18)/t10-,11+/m0/s1
InChIKeyIXBQQLBARXHTBY-WDEREUQCSA-N
XLogP2.23
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid with MolForge

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Related Compounds

CID 161222472
CID 161222472
[(1S,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl] acetate
CID 141204267
3-[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]oxypropanoic acid
CID 169159895
2-[[3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]acetic acid
CID 79461532
tert-butyl N-[4-[(3-methoxycyclopentyl)amino]cyclohexyl]carbamate
CID 103082835
tert-butyl N-[(1S,3S)-3-hydroxycyclopentyl]carbamate;tert-butyl N-[(1R,3R)-3-hydroxycyclopentyl]carbamate
CID 86222893
8-[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]octanoic acid
CID 175359647
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
[[(1S,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]amino]carbamic acid
CID 150881139
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
[4-hydroxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl] propanoate
CID 175294543
tert-butyl N-[3-[(5-amino-5-oxopentyl)amino]cyclopentyl]carbamate
CID 106233893

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid?
The IUPAC name of 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid (CID 118595314) is 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid.
What is the SMILES notation for 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid?
The canonical SMILES for 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid is CC(C)(C)OC(=O)N[C@H]1CC[C@@H](OC(=O)CCCC(=O)O)C1.
What is the InChIKey of 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid?
The InChIKey is IXBQQLBARXHTBY-WDEREUQCSA-N. The full InChI is InChI=1S/C15H25NO6/c1-15(2,3)22-14(20)16-10-7-8-11(9-10)21-13(19)6-4-5-12(17)18/h10-11H,4-9H2,1-3H3,(H,16,20)(H,17,18)/t10-,11+/m0/s1.
What are the key properties of 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid?
5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid has a molecular weight of 315.37 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentyl]oxy-5-oxopentanoic acid is sourced from PubChem (CID 118595314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).