(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid

C14H22N2O5 — CID 107824424

IUPAC(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1NCC2CCCC21)C(=O)O
InChIInChI=1S/C14H22N2O5/c1-21-11(17)6-5-10(14(19)20)16-13(18)12-9-4-2-3-8(9)7-15-12/h8-10,12,15H,2-7H2,1H3,(H,16,18)(H,19,20)/t8?,9?,10-,12?/m1/s1
InChIKeyNOFVFCYGDIKRMK-LYZGGPHJSA-N
MW298.34 g/mol
LogP-0.10
Rot. Bonds6

About (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid

(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid (PubChem CID 107824424) has the molecular formula C14H22N2O5 and a molecular weight of 298.34 g/mol. Its IUPAC name is (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid
PubChem CID107824424
Molecular FormulaC14H22N2O5
Molecular Weight298.34 g/mol
Exact Mass298.15
IUPAC Name(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid
SMILESCOC(=O)CC[C@@H](NC(=O)C1NCC2CCCC21)C(=O)O
InChIInChI=1S/C14H22N2O5/c1-21-11(17)6-5-10(14(19)20)16-13(18)12-9-4-2-3-8(9)7-15-12/h8-10,12,15H,2-7H2,1H3,(H,16,18)(H,19,20)/t8?,9?,10-,12?/m1/s1
InChIKeyNOFVFCYGDIKRMK-LYZGGPHJSA-N
XLogP-0.10
TPSA104.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-4-methylpentanoic acid
CID 102892098
2-(bicyclo[4.1.0]heptane-7-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786592
(2R)-5-methoxy-2-[(3-methylpiperidine-2-carbonyl)amino]-5-oxopentanoic acid
CID 107824348
(2R)-5-methoxy-5-oxo-2-[[(2S)-pyrrolidine-2-carbonyl]amino]pentanoic acid
CID 103870572
methyl (2S)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)propanoate
CID 102891196
N-(1,3-dihydroxypropan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893232
2-[(2-aminocyclohexanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 82786153
(2S)-5-methoxy-5-oxo-2-(pyrrolidine-3-carbonylamino)pentanoic acid
CID 114005134
(2R)-2-[(2-aminocycloheptanecarbonyl)amino]-5-methoxy-5-oxopentanoic acid
CID 103870594
2-(bicyclo[2.2.1]heptane-2-carbonylamino)-5-methoxy-5-oxopentanoic acid
CID 82786792
N-(2-methylpentan-3-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102892730
N-(4-ethylsulfanylbutan-2-yl)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carboxamide
CID 102893859

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid?
The IUPAC name of (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid (CID 107824424) is (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid.
What is the SMILES notation for (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid?
The canonical SMILES for (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid is COC(=O)CC[C@@H](NC(=O)C1NCC2CCCC21)C(=O)O.
What is the InChIKey of (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid?
The InChIKey is NOFVFCYGDIKRMK-LYZGGPHJSA-N. The full InChI is InChI=1S/C14H22N2O5/c1-21-11(17)6-5-10(14(19)20)16-13(18)12-9-4-2-3-8(9)7-15-12/h8-10,12,15H,2-7H2,1H3,(H,16,18)(H,19,20)/t8?,9?,10-,12?/m1/s1.
What are the key properties of (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid?
(2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid has a molecular weight of 298.34 g/mol, XLogP of -0.10, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole-3-carbonylamino)-5-methoxy-5-oxopentanoic acid is sourced from PubChem (CID 107824424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).