(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid

C14H25N3O3 — CID 107566553

IUPAC(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCN2CCCCC12)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-2-5-11(13(18)19)16-14(20)15-10-7-9-17-8-4-3-6-12(10)17/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11-,12?/m1/s1
InChIKeyFOBWJTQLVYMSQB-MOENNCHZSA-N
MW283.37 g/mol
LogP1.17
Rot. Bonds5

About (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid

(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid (PubChem CID 107566553) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid.

Molecular Properties

Compound Name(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
PubChem CID107566553
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid
SMILESCCC[C@@H](NC(=O)NC1CCN2CCCCC12)C(=O)O
InChIInChI=1S/C14H25N3O3/c1-2-5-11(13(18)19)16-14(20)15-10-7-9-17-8-4-3-6-12(10)17/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11-,12?/m1/s1
InChIKeyFOBWJTQLVYMSQB-MOENNCHZSA-N
XLogP1.17
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]pentanoic acid
CID 118354194
5-(3-Oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid
CID 118359735
2-(3-Oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)propanoic acid
CID 132229151
(2R)-4-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 138583186
(2R,4R)-4-(3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)-1-propan-2-ylpyrrolidine-2-carboxylic acid
CID 141753384
2-(3-Oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl)pentanoic acid
CID 160673654
4-[(8aS)-3-oxo-1,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyrazin-2-yl]heptanoic acid
CID 164175707
(2S)-2-(methylamino)-6-(2-oxoimidazolidin-1-yl)hexanoic acid
CID 169025032
2-(Methylamino)-6-(2-oxoimidazolidin-1-yl)hexanoic acid
CID 169764348
(2S)-2-[[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]amino]pentanoic acid
CID 10801081
2-(2-Oxoimidazolidin-1-yl)hexanoic acid
CID 43470464
2-[(1-Methylpyrrolidin-3-yl)carbamoylamino]hexanoic acid
CID 54949496

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid?
The IUPAC name of (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid (CID 107566553) is (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid.
What is the SMILES notation for (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid?
The canonical SMILES for (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid is CCC[C@@H](NC(=O)NC1CCN2CCCCC12)C(=O)O.
What is the InChIKey of (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid?
The InChIKey is FOBWJTQLVYMSQB-MOENNCHZSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-2-5-11(13(18)19)16-14(20)15-10-7-9-17-8-4-3-6-12(10)17/h10-12H,2-9H2,1H3,(H,18,19)(H2,15,16,20)/t10?,11-,12?/m1/s1.
What are the key properties of (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid?
(2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid has a molecular weight of 283.37 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-ylcarbamoylamino)pentanoic acid is sourced from PubChem (CID 107566553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).